A0A087YLF4_POEFO Loading...

Endothelium and lymphocyte associated ASCH domain 1

AlphaFold DB , UniProt , Accession A0A087YLF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 155 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M84.8Confident96.2Very high204 Ų20462.8 Ų62.8100%1.00532%0.319SS*.  0144.60-68.2-173.1-69.300107.2A151M1-A151 VanDerWaalsContact O-CB 3.25Å; M1-A151 WeakPolarHBondContact O-CB 3.34Å; M1-A151 PolarHBondContact O-N 3.2Å
2A92.3Very high96.3Very high60 Ų6058.1 Ų58.150%0.49630%0.295SS..EExtended strand (participates in β ladder)trans-125150.8178.200000109.9E148 I149A2-E148 HydrophobicContact CB-CB 4.38Å; A2-I149 CarbonylContact C-O 3.54Å; A2-I149 VanDerWaalsContact CA-O 3.31Å; A2-I149 WeakPolarHBondContact CA-O 3.48Å
3V96.5Very high96.4Very high60 Ų6054.6 Ų54.636%0.36428%0.279SS..EExtended strand (participates in β ladder)trans-108.5124.6177.3-174.40000108.1L5 I149V3-L5 HydrophobicContact CG1-CD2 4.09Å; V3-L5 HydrophobicContact CG1-CG 4.05Å; V3-I149 PolarHBondContact N-O 3.37Å; V3-I149 PolarHBondContact O-N 2.74Å
4Q97.6Very high96.5Very high125 Ų12551.6 Ų51.658%0.58426%0.262SS*.EExtended strand (participates in β ladder)trans-85.4125.2173.7-170.4177.454.900109.8T146 V147Q4-T146 HydrophobicContact CG-CG2 4.48Å; Q4-V147 WeakPolarHBondContact CA-O 3.12Å
5L97.8Very high96.7Very high27 Ų2748.1 Ų48.114%0.14125%0.245CC..EExtended strand (participates in β ladder)trans-130.2153179.2-66.5176000111.1V3 T40 A42 L88 T146 V147 I149V3-L5 HydrophobicContact CG1-CD2 4.09Å; V3-L5 HydrophobicContact CG1-CG 4.05Å; L5-T40 HydrophobicContact CD1-CG2 4.44Å; L5-A42 HydrophobicContact CB-CB 4.32Å; L5-L88 HydrophobicContact CD1-CD1 4.5Å; L5-L88 HydrophobicContact CD1-CD2 3.49Å; L5-L88 VanDerWaalsContact CD1-CD2 3.49Å; L5-T146 CarbonylContact O-C 3.45Å; L5-T146 VanDerWaalsContact O-CA 3.31Å; L5-T146 WeakPolarHBondContact O-CA 3.48Å; L5-V147 PolarHBondContact N-O 2.93Å; L5-V147 PolarHBondContact O-N 3.21Å; L5-I149 HydrophobicContact CD1-CD1 4Å
6W98.3Very high96.8Very high103 Ų10345.2 Ų45.239%0.3923%0.23SC..EExtended strand (participates in β ladder)trans-67.1144.9162.6-72.6105.5000109.6L36 L41 A42 L144 W145 T146W6-L36 HydrophobicContact CB-CD1 3.86Å; W6-L36 HydrophobicContact CB-CD2 4.12Å; W6-L36 HydrophobicContact CD2-CD2 4.39Å; W6-L36 HydrophobicContact CG-CD1 4.27Å; W6-L36 HydrophobicContact CG-CD2 3.7Å; W6-L41 HydrophobicContact CB-CD1 4.13Å; W6-L41 WeakPolarHBondContact O-CD1 3.45Å; W6-A42 WeakPolarHBondContact O-CB 3.39Å; W6-A42 PolarHBondContact O-N 2.94Å; W6-L144 HydrophobicContact CE3-CB 3.93Å; W6-L144 HydrophobicContact CZ3-CB 4.2Å; W6-W145 CarbonylContact C-O 3.5Å; W6-T146 HydrophobicContact CD2-CG2 4.19Å; W6-T146 HydrophobicContact CE3-CG2 3.95Å; W6-T146 HydrophobicContact CH2-CG2 4.29Å; W6-T146 HydrophobicContact CZ3-CG2 4.01Å
7C98.4Very high96.8Very high0 Ų042.7 Ų42.70%022%0.217CC..EExtended strand (participates in β ladder)trans-134.7145.1-175.9-167.30000110.2A42 L144 W145 V147C7-A42 WeakPolarHBondContact CA-O 3.42Å; C7-A42 HydrophobicContact CB-CB 3.99Å; C7-A42 PolarHBondContact SG-O 3.34Å; C7-L144 WeakPolarHBondContact O-CA 3.28Å; C7-W145 HydrophobicContact CB-CD2 4.15Å; C7-W145 HydrophobicContact CB-CZ2 3.99Å; C7-W145 WeakPolarHBondContact CB-O 3.24Å; C7-W145 PolarHBondContact N-O 2.74Å; C7-W145 PolarHBondContact O-N 3.29Å; C7-W145 VanDerWaalsContact O-N 3.17Å; C7-W145 WeakPolarHBondContact SG-CZ2 3.25Å; C7-V147 HydrophobicContact CB-CB 4.37Å; C7-V147 HydrophobicContact CB-CG1 3.68Å; C7-V147 HydrophobicContact CB-CG2 3.82Å
8L98.3Very high96.9Very high2 Ų240.4 Ų40.41%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-135.2139.8176.3-172.957.7000110F10 R28 L33 L41 A42 H44 D143 L144 W145L8-F10 HydrophobicContact CB-CD2 4.5Å; L8-F10 HydrophobicContact CB-CE2 3.79Å; L8-F10 HydrophobicContact CB-CZ 4.34Å; L8-F10 HydrophobicContact CD2-CE2 4.16Å; L8-F10 HydrophobicContact CD2-CZ 3.9Å; L8-F10 HydrophobicContact CG-CE2 3.99Å; L8-F10 HydrophobicContact CG-CZ 4.24Å; L8-F10 VanDerWaalsContact O-CD2 3.24Å; L8-F10 WeakPolarHBondContact O-CD2 3.43Å; L8-F10 WeakPolarHBondContact O-CE2 3.25Å; L8-R28 VanDerWaalsContact CD2-NH2 3.33Å; L8-L33 HydrophobicContact CD2-CD1 4.42Å; L8-L33 HydrophobicContact CD2-CD2 3.77Å; L8-L33 HydrophobicContact CD2-CG 4.25Å; L8-L41 HydrophobicContact CB-CD1 4.08Å; L8-L41 HydrophobicContact CB-CD2 4.03Å; L8-L41 HydrophobicContact CB-CG 4.44Å; L8-L41 HydrophobicContact CD2-CD2 4.4Å; L8-A42 PolarHBondContact N-O 3.48Å; L8-A42 VanDerWaalsContact N-O 3.11Å; L8-H44 PolarHBondContact O-N 3.25Å; L8-D143 WeakPolarHBondContact CD1-O 3.41Å; L8-L144 HydrophobicContact CB-CD2 3.97Å; L8-L144 HydrophobicContact CD1-CD2 4.15Å; L8-L144 HydrophobicContact CD2-CD2 4.45Å; L8-L144 HydrophobicContact CG-CD2 4.43Å; L8-W145 VanDerWaalsContact C-CH2 3.44Å
9S98.3Very high97Very high31 Ų3138.5 Ų38.522%0.21720%0.196CC..EExtended strand (participates in β ladder)trans-81.9132.8176.2-73.80000108.9R28 H44 W145S9-R28 PolarHBondContact O-NH2 2.81Å; S9-H44 WeakPolarHBondContact CA-O 3.36Å; S9-H44 PolarHBondContact OG-ND1 3.26Å; S9-H44 VanDerWaalsContact OG-ND1 3.13Å; S9-W145 VanDerWaalsContact N-CZ3 3.27Å; S9-W145 WeakPolarHBondContact OG-CH2 3.4Å
10F98.2Very high97Very high5 Ų538.8 Ų38.82%0.02220%0.198CC..EExtended strand (participates in β ladder)trans-121.1135.5170.4-63.6-101.6000108.1L8 A15 E26 L41 V43 H44 A46L8-F10 HydrophobicContact CB-CD2 4.5Å; L8-F10 HydrophobicContact CB-CE2 3.79Å; L8-F10 HydrophobicContact CB-CZ 4.34Å; L8-F10 HydrophobicContact CD2-CE2 4.16Å; L8-F10 HydrophobicContact CD2-CZ 3.9Å; L8-F10 HydrophobicContact CG-CE2 3.99Å; L8-F10 HydrophobicContact CG-CZ 4.24Å; L8-F10 VanDerWaalsContact O-CD2 3.24Å; L8-F10 WeakPolarHBondContact O-CD2 3.43Å; L8-F10 WeakPolarHBondContact O-CE2 3.25Å; F10-A15 HydrophobicContact CB-CB 3.59Å; F10-E26 HydrophobicContact CE1-CG 4.04Å; F10-E26 WeakPolarHBondContact CE1-OE1 3.18Å; F10-L41 HydrophobicContact CE2-CD2 4.36Å; F10-L41 HydrophobicContact CZ-CD2 4.28Å; F10-V43 HydrophobicContact CD2-CB 4.49Å; F10-V43 HydrophobicContact CD2-CG1 3.71Å; F10-V43 HydrophobicContact CE2-CG1 4.14Å; F10-V43 HydrophobicContact CE2-CG2 4.26Å; F10-V43 HydrophobicContact CG-CG1 4.37Å; F10-H44 PolarHBondContact N-O 2.94Å; F10-A46 WeakPolarHBondContact O-CB 3.25Å; F10-A46 PolarHBondContact O-N 3.13Å
11R97.8Very high97Very high74 Ų7438.3 Ų38.328%0.27920%0.203SC..EExtended strand (participates in β ladder)trans-81.1151.2172.3-64.3-169.6177.1176.2-0.3109.6Y14 A15 A46 Q48 D49 W50 E51R11-Y14 PolarHBondContact O-N 2.76Å; R11-A15 PolarHBondContact O-N 3.46Å; R11-A46 HydrophobicContact CG-CB 4.11Å; R11-Q48 VanDerWaalsContact CB-O 3.28Å; R11-Q48 WeakPolarHBondContact CB-O 3.44Å; R11-Q48 VanDerWaalsContact CG-O 3.31Å; R11-Q48 WeakPolarHBondContact CG-O 3.46Å; R11-D49 VanDerWaalsContact CD-O 3.27Å; R11-D49 WeakPolarHBondContact CD-O 3.47Å; R11-D49 PolarHBondContact NH1-O 2.91Å; R11-W50 HydrophobicContact CB-CB 4.4Å; R11-E51 IonicContact CZ-OE1 3.77Å; R11-E51 IonicContact NH1-OE1 2.8Å; R11-E51 PolarHBondContact NH1-OE1 2.86Å; R11-E51 IonicContact NH2-OE1 3.8Å
12Q97.8Very high97.6Very high6 Ų629.2 Ų29.23%0.02816%0.159CC..EExtended strand (participates in β ladder)trans-70.7146.5171.5-69.1-73.439.600110.5I45 W50 G77 E78Q12-I45 HydrophobicContact CG-CG2 3.79Å; Q12-W50 WeakPolarHBondContact O-CB 3.49Å; Q12-W50 PolarHBondContact O-N 3.39Å; Q12-G77 PolarHBondContact NE2-O 2.88Å; Q12-E78 WeakPolarHBondContact CG-OE1 3.31Å; Q12-E78 VanDerWaalsContact NE2-CD 3.34Å; Q12-E78 PolarHBondContact NE2-OE2 2.91Å
13P97.3Very high97.8Very high13 Ų1326.6 Ų26.68%0.08414%0.136CC..THydrogen-bonded Turncis-86.7-2.15.435.6-36.8000114.5A15 G16 L17 W55 L74P13-A15 VanDerWaalsContact C-N 3.29Å; P13-A15 PolarHBondContact O-N 2.92Å; P13-G16 PolarHBondContact O-N 3.33Å; P13-L17 HydrophobicContact CB-CD1 4.26Å; P13-L17 HydrophobicContact CB-CG 4.49Å; P13-L17 HydrophobicContact CG-CD1 4.19Å; P13-L17 VanDerWaalsContact O-CG 3.32Å; P13-L17 WeakPolarHBondContact O-CG 3.37Å; P13-L17 PolarHBondContact O-N 2.93Å; P13-W55 HydrophobicContact CG-CD2 3.5Å; P13-W55 VanDerWaalsContact CG-CD2 3.5Å; P13-W55 HydrophobicContact CG-CE3 3.82Å; P13-W55 HydrophobicContact CG-CG 3.88Å; P13-W55 HydrophobicContact CG-CH2 4.26Å; P13-W55 HydrophobicContact CG-CZ2 3.98Å; P13-W55 HydrophobicContact CG-CZ3 4.19Å; P13-L74 HydrophobicContact CB-CD2 3.53Å; P13-L74 HydrophobicContact CG-CD2 4.39Å
14Y98.3Very high97.9Very high12 Ų1225.9 Ų25.95%0.04713%0.132CC..Hα-helixtrans-64.6-29.5-171.6-67.8-60.9000114.4R11 L17 V18 K23 W50 W55 V114 L115R11-Y14 PolarHBondContact O-N 2.76Å; Y14-L17 HydrophobicContact CD1-CD1 4.06Å; Y14-L17 HydrophobicContact CE1-CD1 4.49Å; Y14-L17 PolarHBondContact O-N 2.83Å; Y14-V18 WeakPolarHBondContact O-CB 3.27Å; Y14-V18 VanDerWaalsContact O-CG2 3.3Å; Y14-V18 WeakPolarHBondContact O-CG2 3.31Å; Y14-V18 PolarHBondContact O-N 2.81Å; Y14-K23 HydrophobicContact CD1-CD 3.46Å; Y14-K23 VanDerWaalsContact CD1-CD 3.46Å; Y14-K23 HydrophobicContact CE1-CD 4.18Å; Y14-K23 HydrophobicContact CG-CD 4.21Å; Y14-W50 HydrophobicContact CD2-CB 4.23Å; Y14-W50 AromaticContact CD2-CD2 3.97Å; Y14-W50 HydrophobicContact CD2-CD2 3.97Å; Y14-W50 HydrophobicContact CD2-CE3 4.1Å; Y14-W50 HydrophobicContact CD2-CG 4Å; Y14-W50 HydrophobicContact CE2-CB 4.2Å; Y14-W50 AromaticContact CE2-CD1 3.82Å; Y14-W50 AromaticContact CE2-CD2 3.51Å; Y14-W50 HydrophobicContact CE2-CD2 3.51Å; Y14-W50 AromaticContact CE2-CE2 3.78Å; Y14-W50 HydrophobicContact CE2-CE3 4.02Å; Y14-W50 AromaticContact CE2-CG 3.55Å; Y14-W50 HydrophobicContact CE2-CG 3.55Å; Y14-W50 HydrophobicContact CE2-CZ2 4.46Å; Y14-W50 AromaticContact CE2-NE1 3.94Å; Y14-W55 HydrophobicContact CE1-CB 4.25Å; Y14-V114 HydrophobicContact CE1-CB 4.27Å; Y14-V114 WeakPolarHBondContact CE1-O 3.49Å; Y14-V114 PolarHBondContact OH-O 2.81Å; Y14-L115 VanDerWaalsContact OH-CD1 3.28Å; Y14-L115 WeakPolarHBondContact OH-CD1 3.33Å
15A98.4Very high97.9Very high0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-61.9-49.8175.600000111.3F10 R11 P13 V18 L19 V43 I45F10-A15 HydrophobicContact CB-CB 3.59Å; R11-A15 PolarHBondContact O-N 3.46Å; P13-A15 VanDerWaalsContact C-N 3.29Å; P13-A15 PolarHBondContact O-N 2.92Å; A15-V18 PolarHBondContact O-N 2.89Å; A15-L19 WeakPolarHBondContact O-CG 3.27Å; A15-L19 PolarHBondContact O-N 3.35Å; A15-L19 VanDerWaalsContact O-N 3.13Å; A15-V43 HydrophobicContact CB-CG1 4.49Å; A15-I45 HydrophobicContact CB-CB 4.35Å; A15-I45 HydrophobicContact CB-CG1 3.87Å; A15-I45 HydrophobicContact CB-CG2 4.23Å
16G98.2Very high98Very high1 Ų119.2 Ų19.21%0.0110%0.1CC..Hα-helixtrans-61.2-47.3174.200000112.3P13 V18 L19 D20P13-G16 PolarHBondContact O-N 3.33Å; G16-V18 VanDerWaalsContact C-N 3.27Å; G16-V18 PolarHBondContact O-N 3.22Å; G16-L19 PolarHBondContact O-N 3.12Å; G16-L19 VanDerWaalsContact O-N 3.08Å; G16-D20 WeakPolarHBondContact O-CB 3.25Å; G16-D20 PolarHBondContact O-N 3.49Å
17L97.8Very high97.9Very high3 Ų315 Ų152%0.0169%0.087CC..Hα-helixtrans-60.1-35.1179.8-66.5171.6000113P13 Y14 G21 V22 K23 L59 L73 V114P13-L17 HydrophobicContact CB-CD1 4.26Å; P13-L17 HydrophobicContact CB-CG 4.49Å; P13-L17 HydrophobicContact CG-CD1 4.19Å; P13-L17 VanDerWaalsContact O-CG 3.32Å; P13-L17 WeakPolarHBondContact O-CG 3.37Å; P13-L17 PolarHBondContact O-N 2.93Å; Y14-L17 HydrophobicContact CD1-CD1 4.06Å; Y14-L17 HydrophobicContact CE1-CD1 4.49Å; Y14-L17 PolarHBondContact O-N 2.83Å; L17-G21 PolarHBondContact O-N 3.35Å; L17-V22 HydrophobicContact CB-CB 4.38Å; L17-V22 HydrophobicContact CD2-CB 3.96Å; L17-V22 HydrophobicContact CD2-CG1 3.99Å; L17-V22 HydrophobicContact CD2-CG2 4.3Å; L17-V22 PolarHBondContact O-N 3.33Å; L17-K23 HydrophobicContact CB-CB 3.89Å; L17-K23 PolarHBondContact O-N 2.95Å; L17-L59 HydrophobicContact CD2-CD1 4.31Å; L17-L59 HydrophobicContact CD2-CD2 4.47Å; L17-L73 HydrophobicContact CD2-CB 4.5Å; L17-L73 HydrophobicContact CD2-CD1 4.27Å; L17-V114 HydrophobicContact CD1-CB 4.34Å; L17-V114 HydrophobicContact CD1-CG1 3.98Å
18V98.7Very high97.8Very high2 Ų217.7 Ų17.71%0.01210%0.097CC..Hα-helixtrans-66.9-49.7172.81650000110.5Y14 A15 G16 D20 G21 K23 V43 V89 L126 P129Y14-V18 WeakPolarHBondContact O-CB 3.27Å; Y14-V18 VanDerWaalsContact O-CG2 3.3Å; Y14-V18 WeakPolarHBondContact O-CG2 3.31Å; Y14-V18 PolarHBondContact O-N 2.81Å; A15-V18 PolarHBondContact O-N 2.89Å; G16-V18 VanDerWaalsContact C-N 3.27Å; G16-V18 PolarHBondContact O-N 3.22Å; V18-D20 VanDerWaalsContact C-N 3.3Å; V18-D20 PolarHBondContact O-N 2.89Å; V18-G21 PolarHBondContact O-N 3.05Å; V18-K23 HydrophobicContact CG2-CB 4Å; V18-K23 HydrophobicContact CG2-CD 3.92Å; V18-K23 HydrophobicContact CG2-CG 3.9Å; V18-V43 HydrophobicContact CG1-CG2 4.34Å; V18-V89 HydrophobicContact CG1-CB 4.38Å; V18-V89 HydrophobicContact CG1-CG1 4.49Å; V18-V89 HydrophobicContact CG1-CG2 4.26Å; V18-L126 HydrophobicContact CB-CD1 4.49Å; V18-L126 HydrophobicContact CG1-CD1 3.8Å; V18-L126 HydrophobicContact CG2-CD1 3.8Å; V18-P129 WeakPolarHBondContact O-CB 3.38Å
19L98.6Very high97.7Very high4 Ų426.4 Ų26.42%0.02113%0.13CC..Hα-helixtrans-71.6-24.6-175-69.1177.2000113.5A15 G16 G21 V43 A86 W131A15-L19 WeakPolarHBondContact O-CG 3.27Å; A15-L19 PolarHBondContact O-N 3.35Å; A15-L19 VanDerWaalsContact O-N 3.13Å; G16-L19 PolarHBondContact O-N 3.12Å; G16-L19 VanDerWaalsContact O-N 3.08Å; L19-G21 VanDerWaalsContact C-N 3.3Å; L19-V43 HydrophobicContact CD1-CB 4.21Å; L19-V43 HydrophobicContact CD1-CG1 3.94Å; L19-V43 HydrophobicContact CD2-CB 3.89Å; L19-V43 HydrophobicContact CD2-CG1 4.24Å; L19-V43 HydrophobicContact CD2-CG2 3.8Å; L19-V43 HydrophobicContact CG-CB 4.18Å; L19-V43 HydrophobicContact CG-CG1 3.97Å; L19-V43 HydrophobicContact CG-CG2 4.39Å; L19-A86 HydrophobicContact CD1-CB 3.71Å; L19-W131 HydrophobicContact CB-CD2 3.96Å; L19-W131 HydrophobicContact CB-CG 4.45Å; L19-W131 HydrophobicContact CB-CH2 4.21Å; L19-W131 HydrophobicContact CB-CZ2 3.48Å; L19-W131 VanDerWaalsContact CB-CZ2 3.48Å; L19-W131 HydrophobicContact CD1-CD2 4.11Å; L19-W131 HydrophobicContact CD1-CE3 3.97Å; L19-W131 HydrophobicContact CD1-CH2 3.98Å; L19-W131 HydrophobicContact CD1-CZ2 4.1Å; L19-W131 HydrophobicContact CD1-CZ3 3.91Å; L19-W131 HydrophobicContact CG-CZ2 4.44Å; L19-W131 PolarHBondContact O-NE1 2.69Å
20D97.8Very high97.6Very high43 Ų4331 Ų3123%0.2314%0.142CC..THydrogen-bonded Turntrans-87.91.4171.7-68.5-18.2000112.8G16 V18 V22 S76 R79 W131G16-D20 WeakPolarHBondContact O-CB 3.25Å; G16-D20 PolarHBondContact O-N 3.49Å; V18-D20 VanDerWaalsContact C-N 3.3Å; V18-D20 PolarHBondContact O-N 2.89Å; D20-V22 VanDerWaalsContact C-N 3.27Å; D20-V22 HydrophobicContact CB-CG2 4.48Å; D20-V22 PolarHBondContact O-N 2.8Å; D20-S76 VanDerWaalsContact CG-OG 3.25Å; D20-S76 PolarHBondContact OD1-OG 2.78Å; D20-S76 VanDerWaalsContact OD2-CB 3.23Å; D20-S76 WeakPolarHBondContact OD2-CB 3.45Å; D20-S76 PolarHBondContact OD2-OG 2.92Å; D20-R79 IonicContact OD1-CZ 3.97Å; D20-R79 IonicContact OD1-NH2 2.81Å; D20-R79 PolarHBondContact OD1-NH2 3.39Å; D20-W131 WeakPolarHBondContact OD1-CZ2 3.23Å; D20-W131 PolarHBondContact OD1-NE1 2.88Å
21G96.9Very high97.6Very high30 Ų3033.9 Ų33.931%0.30916%0.161SC..THydrogen-bonded Turntrans73.812.717500000115.4L17 V18 L19L17-G21 PolarHBondContact O-N 3.35Å; V18-G21 PolarHBondContact O-N 3.05Å; L19-G21 VanDerWaalsContact C-N 3.3Å
22V95.9Very high97.5Very high13 Ų1332.1 Ų32.18%0.07916%0.157CC..SBendtrans-76.4-46.4174.9-177.40000110.5L17 D20 L59 W63 L73 V114L17-V22 HydrophobicContact CB-CB 4.38Å; L17-V22 HydrophobicContact CD2-CB 3.96Å; L17-V22 HydrophobicContact CD2-CG1 3.99Å; L17-V22 HydrophobicContact CD2-CG2 4.3Å; L17-V22 PolarHBondContact O-N 3.33Å; D20-V22 VanDerWaalsContact C-N 3.27Å; D20-V22 HydrophobicContact CB-CG2 4.48Å; D20-V22 PolarHBondContact O-N 2.8Å; V22-L59 HydrophobicContact CG1-CD2 3.93Å; V22-W63 HydrophobicContact CG1-CH2 4.21Å; V22-W63 HydrophobicContact CG1-CZ2 3.94Å; V22-W63 WeakPolarHBondContact O-CZ2 3.43Å; V22-L73 HydrophobicContact CG2-CD1 4.17Å; V22-L73 HydrophobicContact CG2-CD2 3.76Å; V22-V114 HydrophobicContact CG1-CG2 4.1Å
23K97.6Very high97.5Very high4 Ų431.9 Ų31.92%0.01716%0.156CC..  trans-91.7104.2176.1176.9169.5170.968.80110Y14 L17 V18 V25 E26 S112 A113 V114Y14-K23 HydrophobicContact CD1-CD 3.46Å; Y14-K23 VanDerWaalsContact CD1-CD 3.46Å; Y14-K23 HydrophobicContact CE1-CD 4.18Å; Y14-K23 HydrophobicContact CG-CD 4.21Å; L17-K23 HydrophobicContact CB-CB 3.89Å; L17-K23 PolarHBondContact O-N 2.95Å; V18-K23 HydrophobicContact CG2-CB 4Å; V18-K23 HydrophobicContact CG2-CD 3.92Å; V18-K23 HydrophobicContact CG2-CG 3.9Å; K23-V25 WeakPolarHBondContact CE-O 3.19Å; K23-V25 PolarHBondContact NZ-O 2.82Å; K23-E26 WeakPolarHBondContact CE-OE2 3.34Å; K23-E26 IonicContact NZ-OE2 3.41Å; K23-E26 PolarHBondContact NZ-OE2 2.77Å; K23-S112 WeakPolarHBondContact CA-O 3.37Å; K23-A113 WeakPolarHBondContact CD-O 3.45Å; K23-A113 PolarHBondContact NZ-O 2.89Å; K23-V114 HydrophobicContact CB-CG2 4.03Å
24T98.1Very high97.5Very high46 Ų4633.3 Ų33.328%0.28217%0.169SC..  trans-102.9-8.6-177.655.60000113.2S112 L126T24-S112 PolarHBondContact N-O 3.17Å; T24-L126 PolarHBondContact O-N 2.82Å
25V98.3Very high97.4Very high0 Ų039.7 Ų39.70%020%0.204CC..EExtended strand (participates in β ladder)trans-121.7117.3172177.20000109.6K23 W95 S112 A113 L123 T124 W125K23-V25 WeakPolarHBondContact CE-O 3.19Å; K23-V25 PolarHBondContact NZ-O 2.82Å; V25-W95 HydrophobicContact CG1-CH2 4.47Å; V25-S112 PolarHBondContact N-O 2.85Å; V25-S112 VanDerWaalsContact N-O 3.11Å; V25-A113 HydrophobicContact CB-CB 4.16Å; V25-A113 HydrophobicContact CG1-CB 4.31Å; V25-A113 VanDerWaalsContact O-CA 3.31Å; V25-A113 WeakPolarHBondContact O-CA 3.06Å; V25-L123 HydrophobicContact CG1-CB 3.84Å; V25-L123 HydrophobicContact CG1-CD1 4.44Å; V25-L123 HydrophobicContact CG1-CD2 4.26Å; V25-L123 HydrophobicContact CG1-CG 4.39Å; V25-T124 CarbonylContact C-O 3.59Å; V25-T124 WeakPolarHBondContact CA-O 3.36Å; V25-W125 HydrophobicContact CG2-CD2 4.15Å; V25-W125 HydrophobicContact CG2-CE3 3.47Å; V25-W125 VanDerWaalsContact CG2-CE3 3.47Å; V25-W125 HydrophobicContact CG2-CH2 3.66Å; V25-W125 HydrophobicContact CG2-CZ2 4.32Å; V25-W125 HydrophobicContact CG2-CZ3 3.2Å
26E98.4Very high97.3Very high11 Ų1140 Ų405%0.05121%0.205CC..EExtended strand (participates in β ladder)trans-84145.7168.9173.360170.500111F10 K23 R28 L33 L123 T124 L126F10-E26 HydrophobicContact CE1-CG 4.04Å; F10-E26 WeakPolarHBondContact CE1-OE1 3.18Å; K23-E26 WeakPolarHBondContact CE-OE2 3.34Å; K23-E26 IonicContact NZ-OE2 3.41Å; K23-E26 PolarHBondContact NZ-OE2 2.77Å; E26-R28 HydrophobicContact CG-CG 4.39Å; E26-R28 IonicContact OE1-CZ 2.72Å; E26-R28 IonicContact OE1-NE 2.88Å; E26-R28 PolarHBondContact OE1-NE 2.63Å; E26-R28 IonicContact OE1-NH2 3.89Å; E26-R28 PolarHBondContact OE1-NH2 3.27Å; E26-L33 HydrophobicContact CB-CD1 4.18Å; E26-L33 HydrophobicContact CG-CD1 3.78Å; E26-L123 CarbonylContact O-C 3.49Å; E26-L123 VanDerWaalsContact O-CA 3.25Å; E26-L123 WeakPolarHBondContact O-CA 3.22Å; E26-T124 PolarHBondContact N-O 3.24Å; E26-T124 PolarHBondContact O-N 2.85Å; E26-L126 HydrophobicContact CB-CD1 3.73Å; E26-L126 HydrophobicContact CB-CG 4.05Å
27S97Very high97.3Very high15 Ų1544.1 Ų44.111%0.10522%0.224CC..EExtended strand (participates in β ladder)trans-128133.5179.572.60000111.9L115 H122S27-L115 VanDerWaalsContact OG-CD2 3.26Å; S27-L115 WeakPolarHBondContact OG-CD2 3.39Å; S27-H122 CarbonylContact C-O 3.58Å; S27-H122 WeakPolarHBondContact CA-O 3.33Å
28R96.8Very high97.3Very high56 Ų5650.7 Ų50.721%0.21126%0.259CS..EExtended strand (participates in β ladder)trans-141.5152.7179.5-66.9-71.3174.5127.5-4.6111.5L8 S9 E26 R30 H122L8-R28 VanDerWaalsContact CD2-NH2 3.33Å; S9-R28 PolarHBondContact O-NH2 2.81Å; E26-R28 HydrophobicContact CG-CG 4.39Å; E26-R28 IonicContact OE1-CZ 2.72Å; E26-R28 IonicContact OE1-NE 2.88Å; E26-R28 PolarHBondContact OE1-NE 2.63Å; E26-R28 IonicContact OE1-NH2 3.89Å; E26-R28 PolarHBondContact OE1-NH2 3.27Å; R28-R30 VanDerWaalsContact CB-O 3.23Å; R28-R30 WeakPolarHBondContact CB-O 3.32Å; R28-R30 PolarHBondContact O-N 2.84Å; R28-H122 PolarHBondContact N-O 3.46Å; R28-H122 WeakPolarHBondContact O-CA 3.45Å; R28-H122 WeakPolarHBondContact O-CB 3.35Å; R28-H122 PolarHBondContact O-N 2.72Å
29W96.4Very high97.3Very high185 Ų18557.4 Ų57.470%0.70128%0.284SS*.SBendtrans-70-19.7171.3-68.9112.5000113.6K121 H122W29-K121 HydrophobicContact CD2-CG 4.23Å; W29-K121 HydrophobicContact CE3-CG 4.04Å; W29-K121 HydrophobicContact CH2-CG 4.27Å; W29-K121 HydrophobicContact CZ2-CG 4.45Å; W29-K121 HydrophobicContact CZ3-CG 4.06Å; W29-H122 PolarHBondContact O-ND1 3.05Å
30R96.4Very high97.3Very high128 Ų12859.6 Ų59.648%0.48330%0.298SS..SBendtrans-124.5146.7177.7-63.7-176.8-68156.52.7110.1R28 L32 D143R28-R30 VanDerWaalsContact CB-O 3.23Å; R28-R30 WeakPolarHBondContact CB-O 3.32Å; R28-R30 PolarHBondContact O-N 2.84Å; R30-L32 HydrophobicContact CB-CG 4.1Å; R30-L32 PolarHBondContact O-N 3.02Å; R30-D143 IonicContact CZ-OD1 3.91Å; R30-D143 IonicContact CZ-OD2 3.88Å; R30-D143 IonicContact NH1-OD2 3.62Å; R30-D143 VanDerWaalsContact NH2-CG 3.3Å; R30-D143 IonicContact NH2-OD1 2.74Å; R30-D143 PolarHBondContact NH2-OD1 2.76Å; R30-D143 IonicContact NH2-OD2 3.2Å; R30-D143 PolarHBondContact NH2-OD2 3.16Å
31P97Very high97.3Very high65 Ų6557.5 Ų57.542%0.42229%0.287SS..  trans-77.746.2-177.831.8-34.5000113.3L33 A34 T94 H122P31-L33 PolarHBondContact O-N 2.94Å; P31-L33 VanDerWaalsContact O-N 3.17Å; P31-A34 HydrophobicContact CB-CB 4.28Å; P31-A34 WeakPolarHBondContact O-CB 3.23Å; P31-A34 PolarHBondContact O-N 3.4Å; P31-A34 VanDerWaalsContact O-N 3.12Å; P31-T94 HydrophobicContact CB-CG2 4.16Å; P31-H122 HydrophobicContact CB-CB 4.3Å; P31-H122 VanDerWaalsContact CB-CD2 3.48Å; P31-H122 WeakPolarHBondContact CB-CD2 3.29Å
32L95.6Very high97.4Very high37 Ų3756.1 Ų56.119%0.19427%0.272CS..G310 helixtrans-58.5-33.6-173.5-66164.5000112.8R30 D143 L144R30-L32 HydrophobicContact CB-CG 4.1Å; R30-L32 PolarHBondContact O-N 3.02Å; L32-D143 HydrophobicContact CD2-CB 4.49Å; L32-L144 WeakPolarHBondContact O-CD1 3.31Å
33L97.9Very high97.6Very high1 Ų155.5 Ų55.51%0.00527%0.268CS..G310 helixtrans-81.3-11-177.7-67.2177.7000114.3L8 E26 P31 L35 L36 L41 V91 T124 L144L8-L33 HydrophobicContact CD2-CD1 4.42Å; L8-L33 HydrophobicContact CD2-CD2 3.77Å; L8-L33 HydrophobicContact CD2-CG 4.25Å; E26-L33 HydrophobicContact CB-CD1 4.18Å; E26-L33 HydrophobicContact CG-CD1 3.78Å; P31-L33 PolarHBondContact O-N 2.94Å; P31-L33 VanDerWaalsContact O-N 3.17Å; L33-L35 PolarHBondContact O-N 2.81Å; L33-L36 HydrophobicContact CD2-CD1 4.24Å; L33-L36 PolarHBondContact O-N 3.31Å; L33-L41 HydrophobicContact CD2-CD2 3.77Å; L33-V91 HydrophobicContact CB-CG1 4.18Å; L33-T124 HydrophobicContact CB-CG2 3.87Å; L33-T124 HydrophobicContact CD1-CG2 3.92Å; L33-L144 HydrophobicContact CD2-CD2 4.42Å
34A97.5Very high97.6Very high43 Ų4355.4 Ų55.436%0.35527%0.268SS..G310 helixtrans-60.7-31-178.500000112.4P31 L36 T94P31-A34 HydrophobicContact CB-CB 4.28Å; P31-A34 WeakPolarHBondContact O-CB 3.23Å; P31-A34 PolarHBondContact O-N 3.4Å; P31-A34 VanDerWaalsContact O-N 3.12Å; A34-L36 PolarHBondContact O-N 3.15Å; A34-T94 WeakPolarHBondContact CA-OG1 3.48Å; A34-T94 HydrophobicContact CB-CG2 4.21Å; A34-T94 PolarHBondContact N-OG1 3.46Å
35L95.3Very high97.6Very high147 Ų14753.2 Ų53.277%0.7726%0.255SS*.G310 helixtrans-72.4-10177.5-61.4176.6000113.6L33L33-L35 PolarHBondContact O-N 2.81Å
36L97.4Very high97.6Very high5 Ų554 Ų543%0.02626%0.26CS..G310 helixtrans-111.911-176.6-58.5-176.7000112.8W6 L33 A34 N38 R39 L41 V91 L144W6-L36 HydrophobicContact CB-CD1 3.86Å; W6-L36 HydrophobicContact CB-CD2 4.12Å; W6-L36 HydrophobicContact CD2-CD2 4.39Å; W6-L36 HydrophobicContact CG-CD1 4.27Å; W6-L36 HydrophobicContact CG-CD2 3.7Å; L33-L36 HydrophobicContact CD2-CD1 4.24Å; L33-L36 PolarHBondContact O-N 3.31Å; A34-L36 PolarHBondContact O-N 3.15Å; L36-N38 PolarHBondContact O-N 2.94Å; L36-R39 VanDerWaalsContact O-CB 3.28Å; L36-R39 WeakPolarHBondContact O-CB 3.34Å; L36-R39 PolarHBondContact O-N 3.15Å; L36-L41 HydrophobicContact CD1-CD1 3.67Å; L36-V91 HydrophobicContact CB-CB 4.32Å; L36-V91 HydrophobicContact CB-CG1 4.14Å; L36-V91 HydrophobicContact CB-CG2 4.41Å; L36-V91 WeakPolarHBondContact O-CB 3.39Å; L36-L144 HydrophobicContact CD1-CD1 3.79Å; L36-L144 HydrophobicContact CD1-CD2 3.79Å; L36-L144 HydrophobicContact CD1-CG 4.46Å; L36-L144 HydrophobicContact CG-CD1 4.22Å
37E98.1Very high97.5Very high89 Ų8962.4 Ų62.442%0.41629%0.292SS..THydrogen-bonded Turntrans-52.4132.1175.2-176.4172.5-173.600111.1R39E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 3.4Å
38N97.9Very high97.4Very high140 Ų14067.4 Ų67.475%0.74931%0.314SS*.THydrogen-bonded Turntrans62.626.3-174-53.6-50.5000114.7L36 V91L36-N38 PolarHBondContact O-N 2.94Å; N38-V91 WeakPolarHBondContact CA-O 3.41Å; N38-V91 PolarHBondContact N-O 3.29Å
39R98.3Very high97.3Very high144 Ų14468.7 Ų68.754%0.54333%0.325SS..EExtended strand (participates in β ladder)trans-121.1155.3174.1-54.2-172-178.2-149.50.6111.8L36 E37 V91L36-R39 VanDerWaalsContact O-CB 3.28Å; L36-R39 WeakPolarHBondContact O-CB 3.34Å; L36-R39 PolarHBondContact O-N 3.15Å; E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 3.4Å; R39-V91 PolarHBondContact O-N 3.17Å
40T98.6Very high97.1Very high49 Ų4964.5 Ų64.530%0.30131%0.309SS..EExtended strand (participates in β ladder)trans-81133.4169.8-55.30000110.5L5 L88 V89 D90L5-T40 HydrophobicContact CD1-CG2 4.44Å; T40-L88 HydrophobicContact CG2-CB 3.91Å; T40-L88 HydrophobicContact CG2-CD1 4.35Å; T40-L88 HydrophobicContact CG2-CD2 4.35Å; T40-L88 HydrophobicContact CG2-CG 4.44Å; T40-V89 CarbonylContact C-O 3.54Å; T40-V89 WeakPolarHBondContact CA-O 3.45Å; T40-D90 WeakPolarHBondContact CB-OD1 3.44Å; T40-D90 PolarHBondContact OG1-OD1 3.27Å
41L98.7Very high96.9Very high0 Ų065.4 Ų65.40%032%0.319CS..EExtended strand (participates in β ladder)trans-113.5134.4176.6176.775.3000109.5W6 L8 F10 L33 L36 L88 V89 V91 L144W6-L41 HydrophobicContact CB-CD1 4.13Å; W6-L41 WeakPolarHBondContact O-CD1 3.45Å; L8-L41 HydrophobicContact CB-CD1 4.08Å; L8-L41 HydrophobicContact CB-CD2 4.03Å; L8-L41 HydrophobicContact CB-CG 4.44Å; L8-L41 HydrophobicContact CD2-CD2 4.4Å; F10-L41 HydrophobicContact CE2-CD2 4.36Å; F10-L41 HydrophobicContact CZ-CD2 4.28Å; L33-L41 HydrophobicContact CD2-CD2 3.77Å; L36-L41 HydrophobicContact CD1-CD1 3.67Å; L41-L88 CarbonylContact O-C 3.57Å; L41-L88 WeakPolarHBondContact O-CA 3.44Å; L41-V89 HydrophobicContact CB-CG1 4.16Å; L41-V89 HydrophobicContact CD2-CG1 4.28Å; L41-V89 PolarHBondContact N-O 2.93Å; L41-V89 PolarHBondContact O-N 3.49Å; L41-V91 HydrophobicContact CB-CG2 3.54Å; L41-V91 HydrophobicContact CD2-CG2 4.03Å; L41-V91 HydrophobicContact CG-CG2 4.39Å; L41-L144 HydrophobicContact CD1-CD2 3.91Å
42A98.8Very high96.4Very high0 Ų064 Ų640%032%0.316CS..EExtended strand (participates in β ladder)trans-78.1136.8168.100000110.9L5 W6 C7 L8 V85 L88 V147 I149L5-A42 HydrophobicContact CB-CB 4.32Å; W6-A42 WeakPolarHBondContact O-CB 3.39Å; W6-A42 PolarHBondContact O-N 2.94Å; C7-A42 WeakPolarHBondContact CA-O 3.42Å; C7-A42 HydrophobicContact CB-CB 3.99Å; C7-A42 PolarHBondContact SG-O 3.34Å; L8-A42 PolarHBondContact N-O 3.48Å; L8-A42 VanDerWaalsContact N-O 3.11Å; A42-V85 HydrophobicContact CB-CG1 3.9Å; A42-L88 HydrophobicContact CB-CD2 4.12Å; A42-V147 HydrophobicContact CB-CG2 3.81Å; A42-I149 HydrophobicContact CB-CD1 4.1Å
43V98.8Very high96.1Very high0 Ų068 Ų680%033%0.333CS..EExtended strand (participates in β ladder)trans-101.6114.9179.8179.20000108.6F10 A15 V18 L19 V85 A86 G87 V89F10-V43 HydrophobicContact CD2-CB 4.49Å; F10-V43 HydrophobicContact CD2-CG1 3.71Å; F10-V43 HydrophobicContact CE2-CG1 4.14Å; F10-V43 HydrophobicContact CE2-CG2 4.26Å; F10-V43 HydrophobicContact CG-CG1 4.37Å; A15-V43 HydrophobicContact CB-CG1 4.49Å; V18-V43 HydrophobicContact CG1-CG2 4.34Å; L19-V43 HydrophobicContact CD1-CB 4.21Å; L19-V43 HydrophobicContact CD1-CG1 3.94Å; L19-V43 HydrophobicContact CD2-CB 3.89Å; L19-V43 HydrophobicContact CD2-CG1 4.24Å; L19-V43 HydrophobicContact CD2-CG2 3.8Å; L19-V43 HydrophobicContact CG-CB 4.18Å; L19-V43 HydrophobicContact CG-CG1 3.97Å; L19-V43 HydrophobicContact CG-CG2 4.39Å; V43-V85 WeakPolarHBondContact O-CA 3.32Å; V43-A86 PolarHBondContact O-N 2.86Å; V43-G87 PolarHBondContact N-O 3.5Å; V43-V89 HydrophobicContact CG2-CB 4.32Å; V43-V89 HydrophobicContact CG2-CG1 3.88Å
44H98.8Very high95.5Very high3 Ų372 Ų721%0.01435%0.352CS..EExtended strand (participates in β ladder)trans-96.7133.6170.6175.4-88.5000110.5L8 S9 F10 V84 V85 A138 W145L8-H44 PolarHBondContact O-N 3.25Å; S9-H44 WeakPolarHBondContact CA-O 3.36Å; S9-H44 PolarHBondContact OG-ND1 3.26Å; S9-H44 VanDerWaalsContact OG-ND1 3.13Å; F10-H44 PolarHBondContact N-O 2.94Å; H44-V84 CarbonylContact C-O 3.55Å; H44-V84 WeakPolarHBondContact CA-O 3.24Å; H44-V84 PolarHBondContact CD2-O 3.39Å; H44-V85 HydrophobicContact CB-CG2 4.48Å; H44-A138 PolarHBondContact NE2-O 2.79Å; H44-W145 HydrophobicContact CB-CH2 3.79Å; H44-W145 HydrophobicContact CB-CZ2 3.7Å; H44-W145 AromaticContact CG-CZ2 3.86Å
45I98.6Very high95.2Very high0 Ų070.7 Ų70.70%034%0.338CS..EExtended strand (participates in β ladder)trans-89.7112.3174.6-53.6-176.6000108.1Q12 A15 G81 R82 G83 V84 A86 W131Q12-I45 HydrophobicContact CG-CG2 3.79Å; A15-I45 HydrophobicContact CB-CB 4.35Å; A15-I45 HydrophobicContact CB-CG1 3.87Å; A15-I45 HydrophobicContact CB-CG2 4.23Å; I45-G81 WeakPolarHBondContact CD1-O 3.45Å; I45-R82 HydrophobicContact CG2-CB 4.23Å; I45-R82 HydrophobicContact CG2-CG 3.97Å; I45-G83 WeakPolarHBondContact O-CA 3.26Å; I45-G83 PolarHBondContact O-N 3.47Å; I45-V84 HydrophobicContact CB-CG2 4.46Å; I45-V84 HydrophobicContact CD1-CG2 4.42Å; I45-V84 PolarHBondContact N-O 3.12Å; I45-A86 HydrophobicContact CD1-CB 3.45Å; I45-A86 VanDerWaalsContact CD1-CB 3.45Å; I45-A86 HydrophobicContact CG1-CB 3.73Å; I45-W131 HydrophobicContact CD1-CZ3 4.47Å
46A97.7Very high94.9Very high15 Ų1568.5 Ų68.512%0.12432%0.32CS..EExtended strand (participates in β ladder)trans-69.2155.4176.800000111.6F10 R11F10-A46 WeakPolarHBondContact O-CB 3.25Å; F10-A46 PolarHBondContact O-N 3.13Å; R11-A46 HydrophobicContact CG-CB 4.11Å
47W95.9Very high94.1Very high188 Ų18871.5 Ų71.571%0.71235%0.346SS*.EExtended strand (participates in β ladder)trans-68.2-37.7174.9-79.1104.5000113.1R82W47-R82 HydrophobicContact CD2-CB 4.13Å; W47-R82 HydrophobicContact CE3-CB 3.84Å; W47-R82 HydrophobicContact CZ3-CB 4.14Å; W47-R82 WeakPolarHBondContact O-CD 3.44Å; W47-R82 PolarHBondContact O-NH1 3.21Å
48Q94.7Very high93.4Very high121 Ų12167.6 Ų67.657%0.56533%0.328SS*.EExtended strand (participates in β ladder)trans-79.1139.7-177.2-68180-19.100111.1R11R11-Q48 VanDerWaalsContact CB-O 3.28Å; R11-Q48 WeakPolarHBondContact CB-O 3.44Å; R11-Q48 VanDerWaalsContact CG-O 3.31Å; R11-Q48 WeakPolarHBondContact CG-O 3.46Å
49D94.3Very high92.9Very high83 Ų8361 Ų6144%0.44429%0.293SS..EExtended strand (participates in β ladder)trans-71154.5168.4-70.9-57.7000111.9R11 R82R11-D49 VanDerWaalsContact CD-O 3.27Å; R11-D49 WeakPolarHBondContact CD-O 3.47Å; R11-D49 PolarHBondContact NH1-O 2.91Å; D49-R82 IonicContact OD1-CZ 3.52Å; D49-R82 IonicContact OD1-NH1 3.58Å; D49-R82 PolarHBondContact OD1-NH1 2.85Å; D49-R82 IonicContact OD1-NH2 2.73Å; D49-R82 PolarHBondContact OD1-NH2 3.45Å; D49-R82 IonicContact OD2-CZ 2.78Å; D49-R82 IonicContact OD2-NH1 3.15Å; D49-R82 PolarHBondContact OD2-NH1 3.11Å; D49-R82 IonicContact OD2-NH2 3.36Å
50W94Very high91.9Very high96 Ų9655.9 Ų55.936%0.36429%0.285SS..PPolyproline II helixtrans-58.5139.5164.6-177.4-100.1000109.9R11 Q12 Y14 G52R11-W50 HydrophobicContact CB-CB 4.4Å; Q12-W50 WeakPolarHBondContact O-CB 3.49Å; Q12-W50 PolarHBondContact O-N 3.39Å; Y14-W50 HydrophobicContact CD2-CB 4.23Å; Y14-W50 AromaticContact CD2-CD2 3.97Å; Y14-W50 HydrophobicContact CD2-CD2 3.97Å; Y14-W50 HydrophobicContact CD2-CE3 4.1Å; Y14-W50 HydrophobicContact CD2-CG 4Å; Y14-W50 HydrophobicContact CE2-CB 4.2Å; Y14-W50 AromaticContact CE2-CD1 3.82Å; Y14-W50 AromaticContact CE2-CD2 3.51Å; Y14-W50 HydrophobicContact CE2-CD2 3.51Å; Y14-W50 AromaticContact CE2-CE2 3.78Å; Y14-W50 HydrophobicContact CE2-CE3 4.02Å; Y14-W50 AromaticContact CE2-CG 3.55Å; Y14-W50 HydrophobicContact CE2-CG 3.55Å; Y14-W50 HydrophobicContact CE2-CZ2 4.46Å; Y14-W50 AromaticContact CE2-NE1 3.94Å; W50-G52 PolarHBondContact O-N 2.98Å
51E90.4Very high90.7Very high147 Ų14756.3 Ų56.369%0.68730%0.299SS*.SBendtrans-82.1113176.9-71.6162.5-136.300108.3R11R11-E51 IonicContact CZ-OE1 3.77Å; R11-E51 IonicContact NH1-OE1 2.8Å; R11-E51 PolarHBondContact NH1-OE1 2.86Å; R11-E51 IonicContact NH2-OE1 3.8Å
52G88.4Confident89.3Confident35 Ų3558 Ų5836%0.36131%0.313SS..  trans111.1167179.200000114.1W50 E54 W55W50-G52 PolarHBondContact O-N 2.98Å; G52-E54 WeakPolarHBondContact CA-OE2 3.28Å; G52-W55 PolarHBondContact O-NE1 2.81Å; G52-W55 VanDerWaalsContact O-NE1 3.1Å
53E88.3Confident88.1Confident121 Ų12163.2 Ų63.257%0.56533%0.333SS*.SBendtrans-121.813.9-177.6-64.4-154.1121.200112.6W55 R56E53-W55 PolarHBondContact O-N 3.43Å; E53-W55 VanDerWaalsContact O-N 3.16Å; E53-R56 HydrophobicContact CB-CG 4.45Å; E53-R56 VanDerWaalsContact O-CB 3.28Å; E53-R56 WeakPolarHBondContact O-CB 3.46Å; E53-R56 PolarHBondContact O-N 2.88Å; E53-R56 IonicContact OE1-CZ 3.71Å; E53-R56 IonicContact OE1-NE 3.13Å; E53-R56 PolarHBondContact OE1-NE 2.94Å; E53-R56 IonicContact OE1-NH2 3.63Å; E53-R56 PolarHBondContact OE1-NH2 3.49Å; E53-R56 IonicContact OE2-NE 3.7Å
54E86.3Confident87.3Confident87 Ų8766 Ų6641%0.40736%0.362SS..Hα-helixtrans-62.1-27.7-176.1-55.580.6-175.900112.1G52 R56 A57 A58 I116G52-E54 WeakPolarHBondContact CA-OE2 3.28Å; E54-R56 PolarHBondContact O-N 3.32Å; E54-A57 WeakPolarHBondContact O-CB 3.41Å; E54-A57 PolarHBondContact O-N 2.78Å; E54-A57 VanDerWaalsContact O-N 3.1Å; E54-A58 PolarHBondContact O-N 2.82Å; E54-A58 VanDerWaalsContact O-N 3.11Å; E54-I116 HydrophobicContact CB-CD1 4.21Å; E54-I116 HydrophobicContact CB-CG1 4.19Å; E54-I116 HydrophobicContact CG-CD1 4.33Å
55W90.4Very high86.7Confident14 Ų1468.5 Ų68.55%0.05338%0.375CS..Hα-helixtrans-60.3-29.3173.257.6-94.8000112.5P13 Y14 G52 E53 A57 A58 L59 V70 L74 V114P13-W55 HydrophobicContact CG-CD2 3.5Å; P13-W55 VanDerWaalsContact CG-CD2 3.5Å; P13-W55 HydrophobicContact CG-CE3 3.82Å; P13-W55 HydrophobicContact CG-CG 3.88Å; P13-W55 HydrophobicContact CG-CH2 4.26Å; P13-W55 HydrophobicContact CG-CZ2 3.98Å; P13-W55 HydrophobicContact CG-CZ3 4.19Å; Y14-W55 HydrophobicContact CE1-CB 4.25Å; G52-W55 PolarHBondContact O-NE1 2.81Å; G52-W55 VanDerWaalsContact O-NE1 3.1Å; E53-W55 PolarHBondContact O-N 3.43Å; E53-W55 VanDerWaalsContact O-N 3.16Å; W55-A57 VanDerWaalsContact C-N 3.33Å; W55-A58 PolarHBondContact O-N 2.96Å; W55-L59 HydrophobicContact CE3-CD1 3.88Å; W55-L59 HydrophobicContact CZ3-CD1 4.2Å; W55-L59 WeakPolarHBondContact O-CG 3.38Å; W55-L59 PolarHBondContact O-N 2.89Å; W55-V70 HydrophobicContact CZ3-CG1 4.05Å; W55-L74 HydrophobicContact CH2-CD1 3.83Å; W55-L74 HydrophobicContact CH2-CD2 3.72Å; W55-L74 HydrophobicContact CH2-CG 4.34Å; W55-L74 HydrophobicContact CZ3-CD1 4.23Å; W55-L74 HydrophobicContact CZ3-CD2 3.83Å; W55-L74 HydrophobicContact CZ3-CG 4.43Å; W55-V114 HydrophobicContact CB-CG1 4.35Å
56R88.1Confident86.3Confident101 Ų10172 Ų7238%0.38140%0.399SS..Hα-helixtrans-64.3-41.3174.4-66.9-176.6179.3-86.62.3110.8E53 E54 L59 G60E53-R56 HydrophobicContact CB-CG 4.45Å; E53-R56 VanDerWaalsContact O-CB 3.28Å; E53-R56 WeakPolarHBondContact O-CB 3.46Å; E53-R56 PolarHBondContact O-N 2.88Å; E53-R56 IonicContact OE1-CZ 3.71Å; E53-R56 IonicContact OE1-NE 3.13Å; E53-R56 PolarHBondContact OE1-NE 2.94Å; E53-R56 IonicContact OE1-NH2 3.63Å; E53-R56 PolarHBondContact OE1-NH2 3.49Å; E53-R56 IonicContact OE2-NE 3.7Å; E54-R56 PolarHBondContact O-N 3.32Å; R56-L59 PolarHBondContact O-N 2.89Å; R56-G60 PolarHBondContact O-N 3.08Å
57A80.7Confident85.9Confident69 Ų6975.4 Ų75.457%0.5743%0.428SS*.Hα-helixtrans-67.4-37.4176.200000111.4E54 W55 G61E54-A57 WeakPolarHBondContact O-CB 3.41Å; E54-A57 PolarHBondContact O-N 2.78Å; E54-A57 VanDerWaalsContact O-N 3.1Å; W55-A57 VanDerWaalsContact C-N 3.33Å; A57-G61 WeakPolarHBondContact O-CA 3.48Å; A57-G61 PolarHBondContact O-N 3.13Å
58A84.8Confident85.7Confident7 Ų769.3 Ų69.36%0.05842%0.418CS..Iπ-helixtrans-63.2-41.9174.500000112.3E54 W55 A62 W63 V114E54-A58 PolarHBondContact O-N 2.82Å; E54-A58 VanDerWaalsContact O-N 3.11Å; W55-A58 PolarHBondContact O-N 2.96Å; A58-A62 WeakPolarHBondContact O-CB 3.33Å; A58-A62 PolarHBondContact O-N 2.78Å; A58-W63 PolarHBondContact O-N 3.11Å; A58-V114 HydrophobicContact CB-CG1 4.09Å
59L86.6Confident85.6Confident1 Ų164.1 Ų64.11%0.00540%0.396CS..Iπ-helixtrans-72.5-44.4177-68.2175.3000112.9L17 V22 W55 R56 W63 G64 L65 V70 V114L17-L59 HydrophobicContact CD2-CD1 4.31Å; L17-L59 HydrophobicContact CD2-CD2 4.47Å; V22-L59 HydrophobicContact CG1-CD2 3.93Å; W55-L59 HydrophobicContact CE3-CD1 3.88Å; W55-L59 HydrophobicContact CZ3-CD1 4.2Å; W55-L59 WeakPolarHBondContact O-CG 3.38Å; W55-L59 PolarHBondContact O-N 2.89Å; R56-L59 PolarHBondContact O-N 2.89Å; L59-W63 VanDerWaalsContact O-CB 3.25Å; L59-W63 WeakPolarHBondContact O-CB 3.44Å; L59-G64 PolarHBondContact O-N 2.72Å; L59-L65 HydrophobicContact CB-CD1 4.21Å; L59-L65 HydrophobicContact CD2-CD1 4Å; L59-L65 PolarHBondContact O-N 3.12Å; L59-L65 VanDerWaalsContact O-N 3.12Å; L59-V70 HydrophobicContact CB-CG2 3.99Å; L59-V70 HydrophobicContact CD1-CG1 4.23Å; L59-V70 HydrophobicContact CD1-CG2 4.4Å; L59-V114 HydrophobicContact CD1-CG1 4.28Å; L59-V114 HydrophobicContact CD2-CG1 3.47Å; L59-V114 VanDerWaalsContact CD2-CG1 3.47Å; L59-V114 HydrophobicContact CD2-CG2 4.29Å; L59-V114 HydrophobicContact CG-CG1 3.53Å
60G77.9Confident85.5Confident37 Ų3760.7 Ų60.738%0.38138%0.378SS..Iπ-helixtrans-72.3-37.118000000113.2R56 G64R56-G60 PolarHBondContact O-N 3.08Å; G60-G64 VanDerWaalsContact O-CA 3.3Å; G60-G64 WeakPolarHBondContact O-CA 3.48Å; G60-G64 PolarHBondContact O-N 2.91Å
61G73.8Confident85.5Confident58 Ų5860.4 Ų60.460%0.59838%0.381SS*.Iπ-helixtrans-83.4-69.6-179.700000112.7A57 W63 G64A57-G61 WeakPolarHBondContact O-CA 3.48Å; A57-G61 PolarHBondContact O-N 3.13Å; G61-W63 PolarHBondContact O-N 3.48Å; G61-G64 PolarHBondContact O-N 3.27Å
62A67.4Low85.7Confident35 Ų3559.7 Ų59.729%0.28938%0.378SS..Iπ-helixtrans-72.4-30.3-169.300000113.3A58 R111A58-A62 WeakPolarHBondContact O-CB 3.33Å; A58-A62 PolarHBondContact O-N 2.78Å; A62-R111 HydrophobicContact CB-CB 3.9Å; A62-R111 HydrophobicContact CB-CG 4.06Å; A62-R111 PolarHBondContact O-NE 3.41Å; A62-R111 PolarHBondContact O-NH2 3.29Å
63W73.6Confident86Confident110 Ų11059.8 Ų59.842%0.41737%0.37SS..SBendtrans-96.4-12.9175.3-77.678.9000113.7V22 A58 L59 G61 L65 R111V22-W63 HydrophobicContact CG1-CH2 4.21Å; V22-W63 HydrophobicContact CG1-CZ2 3.94Å; V22-W63 WeakPolarHBondContact O-CZ2 3.43Å; A58-W63 PolarHBondContact O-N 3.11Å; L59-W63 VanDerWaalsContact O-CB 3.25Å; L59-W63 WeakPolarHBondContact O-CB 3.44Å; G61-W63 PolarHBondContact O-N 3.48Å; W63-L65 HydrophobicContact CB-CD1 4.12Å; W63-L65 HydrophobicContact CB-CG 4.03Å; W63-L65 PolarHBondContact O-N 3.26Å; W63-R111 VanDerWaalsContact CD1-CG 3.44Å; W63-R111 HydrophobicContact CD2-CG 4.46Å; W63-R111 HydrophobicContact CG-CG 4.19Å; W63-R111 PolarHBondContact NE1-O 2.78Å
64G82.4Confident86.3Confident59 Ų5955.8 Ų55.861%0.60835%0.352SS*.  trans64.222-178.200000114L59 G60 G61L59-G64 PolarHBondContact O-N 2.72Å; G60-G64 VanDerWaalsContact O-CA 3.3Å; G60-G64 WeakPolarHBondContact O-CA 3.48Å; G60-G64 PolarHBondContact O-N 2.91Å; G61-G64 PolarHBondContact O-N 3.27Å
65L87.3Confident86.9Confident54 Ų5457.2 Ų57.228%0.28336%0.359SS..  trans-69.8137.6-178.2-73.6168000110.9L59 W63 V70 L73L59-L65 HydrophobicContact CB-CD1 4.21Å; L59-L65 HydrophobicContact CD2-CD1 4Å; L59-L65 PolarHBondContact O-N 3.12Å; L59-L65 VanDerWaalsContact O-N 3.12Å; W63-L65 HydrophobicContact CB-CD1 4.12Å; W63-L65 HydrophobicContact CB-CG 4.03Å; W63-L65 PolarHBondContact O-N 3.26Å; L65-V70 HydrophobicContact CB-CG2 3.9Å; L65-L73 HydrophobicContact CD1-CD1 3.59Å
66S90.1Very high87.2Confident73 Ų7358.5 Ų58.551%0.5137%0.37SS..  trans-68.6160.8170.771.80000110.6A68 G69 V70S66-A68 PolarHBondContact O-N 2.95Å; S66-G69 PolarHBondContact O-N 3.25Å; S66-G69 PolarHBondContact OG-N 3.43Å; S66-G69 VanDerWaalsContact OG-N 3.11Å; S66-V70 PolarHBondContact O-N 2.98Å
67A88.9Confident87.6Confident88 Ų8853.8 Ų53.873%0.72735%0.353SS*.Hα-helixtrans-56.7-36.8175.300000112.5V70 Q71A67-V70 PolarHBondContact O-N 3.44Å; A67-Q71 WeakPolarHBondContact O-CB 3.46Å; A67-Q71 PolarHBondContact O-N 2.92Å
68A92.3Very high88.4Confident60 Ų6053.6 Ų53.650%0.49634%0.34SS..Hα-helixtrans-65.6-44.4174.700000111.7S66 V70 Q71 E72S66-A68 PolarHBondContact O-N 2.95Å; A68-V70 VanDerWaalsContact C-N 3.34Å; A68-V70 PolarHBondContact O-N 3.11Å; A68-Q71 WeakPolarHBondContact O-CB 3.31Å; A68-Q71 PolarHBondContact O-N 3.47Å; A68-Q71 VanDerWaalsContact O-N 3.12Å; A68-E72 WeakPolarHBondContact O-CG 3.39Å; A68-E72 PolarHBondContact O-N 3Å
69G92.4Very high89Confident11 Ų1159 Ų5911%0.11336%0.359CS..Hα-helixtrans-64.2-37.5176.800000113S66 Q71 E72 L73S66-G69 PolarHBondContact O-N 3.25Å; S66-G69 PolarHBondContact OG-N 3.43Å; S66-G69 VanDerWaalsContact OG-N 3.11Å; G69-Q71 VanDerWaalsContact C-N 3.34Å; G69-E72 PolarHBondContact O-N 2.85Å; G69-L73 WeakPolarHBondContact O-CG 3.32Å; G69-L73 PolarHBondContact O-N 3.07Å; G69-L73 VanDerWaalsContact O-N 3.15Å
70V92.3Very high89.6Confident11 Ų1161.3 Ų61.37%0.06737%0.369CS..Hα-helixtrans-62.7-43.2171.81750000110.6W55 L59 L65 S66 A67 A68 L73 L74W55-V70 HydrophobicContact CZ3-CG1 4.05Å; L59-V70 HydrophobicContact CB-CG2 3.99Å; L59-V70 HydrophobicContact CD1-CG1 4.23Å; L59-V70 HydrophobicContact CD1-CG2 4.4Å; L65-V70 HydrophobicContact CB-CG2 3.9Å; S66-V70 PolarHBondContact O-N 2.98Å; A67-V70 PolarHBondContact O-N 3.44Å; A68-V70 VanDerWaalsContact C-N 3.34Å; A68-V70 PolarHBondContact O-N 3.11Å; V70-L73 PolarHBondContact O-N 3.24Å; V70-L74 HydrophobicContact CG1-CD1 4.29Å; V70-L74 WeakPolarHBondContact O-CG 3.34Å; V70-L74 PolarHBondContact O-N 3.15Å; V70-L74 VanDerWaalsContact O-N 3.11Å
71Q93.9Very high90.5Very high90 Ų9060.9 Ų60.942%0.42137%0.365SS..Hα-helixtrans-62.8-43178.5-176.759.632.300112.2A67 A68 G69 L73 L74 E75A67-Q71 WeakPolarHBondContact O-CB 3.46Å; A67-Q71 PolarHBondContact O-N 2.92Å; A68-Q71 WeakPolarHBondContact O-CB 3.31Å; A68-Q71 PolarHBondContact O-N 3.47Å; A68-Q71 VanDerWaalsContact O-N 3.12Å; G69-Q71 VanDerWaalsContact C-N 3.34Å; Q71-L73 VanDerWaalsContact C-N 3.32Å; Q71-L73 PolarHBondContact O-N 3.11Å; Q71-L74 PolarHBondContact O-N 2.83Å; Q71-L74 VanDerWaalsContact O-N 3.15Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.33Å; Q71-E75 PolarHBondContact NE2-OE1 3.5Å; Q71-E75 WeakPolarHBondContact O-CG 3.48Å; Q71-E75 PolarHBondContact O-N 3.29Å
72E94.8Very high91.7Very high132 Ų13260.8 Ų60.862%0.61735%0.346SS*.Hα-helixtrans-59.2-41175.5-73.4172.7-174.400112.2A68 G69 E75 S76A68-E72 WeakPolarHBondContact O-CG 3.39Å; A68-E72 PolarHBondContact O-N 3Å; G69-E72 PolarHBondContact O-N 2.85Å; E72-E75 PolarHBondContact O-N 3.44Å; E72-S76 WeakPolarHBondContact O-CB 3.46Å; E72-S76 PolarHBondContact O-N 3.47Å
73L94.4Very high93.1Very high37 Ų3759.6 Ų59.619%0.19434%0.337CS..Hα-helixtrans-63.5-40.2174.9-72.7177.1000112.3L17 V22 L65 G69 V70 Q71 G77L17-L73 HydrophobicContact CD2-CB 4.5Å; L17-L73 HydrophobicContact CD2-CD1 4.27Å; V22-L73 HydrophobicContact CG2-CD1 4.17Å; V22-L73 HydrophobicContact CG2-CD2 3.76Å; L65-L73 HydrophobicContact CD1-CD1 3.59Å; G69-L73 WeakPolarHBondContact O-CG 3.32Å; G69-L73 PolarHBondContact O-N 3.07Å; G69-L73 VanDerWaalsContact O-N 3.15Å; V70-L73 PolarHBondContact O-N 3.24Å; Q71-L73 VanDerWaalsContact C-N 3.32Å; Q71-L73 PolarHBondContact O-N 3.11Å; L73-G77 PolarHBondContact O-N 2.98Å
74L94.9Very high94.3Very high37 Ų3754.8 Ų54.819%0.19432%0.32CS..Hα-helixtrans-65.8-42.2178-64.8173.9000111.3P13 W55 V70 Q71 G77 E78P13-L74 HydrophobicContact CB-CD2 3.53Å; P13-L74 HydrophobicContact CG-CD2 4.39Å; W55-L74 HydrophobicContact CH2-CD1 3.83Å; W55-L74 HydrophobicContact CH2-CD2 3.72Å; W55-L74 HydrophobicContact CH2-CG 4.34Å; W55-L74 HydrophobicContact CZ3-CD1 4.23Å; W55-L74 HydrophobicContact CZ3-CD2 3.83Å; W55-L74 HydrophobicContact CZ3-CG 4.43Å; V70-L74 HydrophobicContact CG1-CD1 4.29Å; V70-L74 WeakPolarHBondContact O-CG 3.34Å; V70-L74 PolarHBondContact O-N 3.15Å; V70-L74 VanDerWaalsContact O-N 3.11Å; Q71-L74 PolarHBondContact O-N 2.83Å; Q71-L74 VanDerWaalsContact O-N 3.15Å; L74-G77 PolarHBondContact O-N 3.29Å; L74-E78 WeakPolarHBondContact O-CG 3.37Å; L74-E78 PolarHBondContact O-N 2.73Å; L74-E78 VanDerWaalsContact O-N 3.15Å
75E97.2Very high95.1Very high118 Ų11852 Ų5255%0.55129%0.291SS*.Hα-helixtrans-64.9-43.4177.3-72.1172.5-169.200111.9Q71 E72 G77 E78 R79Q71-E75 WeakPolarHBondContact CG-OE1 3.33Å; Q71-E75 PolarHBondContact NE2-OE1 3.5Å; Q71-E75 WeakPolarHBondContact O-CG 3.48Å; Q71-E75 PolarHBondContact O-N 3.29Å; E72-E75 PolarHBondContact O-N 3.44Å; E75-G77 VanDerWaalsContact C-N 3.34Å; E75-G77 PolarHBondContact O-N 3.02Å; E75-E78 PolarHBondContact O-N 3.15Å; E75-R79 PolarHBondContact O-N 2.92Å
76S96.9Very high95.6Very high40 Ų4049.4 Ų49.428%0.2828%0.277SS..Hα-helixtrans-59.7-44173.5176.60000111.9D20 E72 E78 R79D20-S76 VanDerWaalsContact CG-OG 3.25Å; D20-S76 PolarHBondContact OD1-OG 2.78Å; D20-S76 VanDerWaalsContact OD2-CB 3.23Å; D20-S76 WeakPolarHBondContact OD2-CB 3.45Å; D20-S76 PolarHBondContact OD2-OG 2.92Å; E72-S76 WeakPolarHBondContact O-CB 3.46Å; E72-S76 PolarHBondContact O-N 3.47Å; S76-E78 PolarHBondContact O-N 3.19Å; S76-R79 WeakPolarHBondContact O-CB 3.46Å; S76-R79 VanDerWaalsContact O-CG 3.24Å; S76-R79 WeakPolarHBondContact O-CG 3.41Å; S76-R79 PolarHBondContact O-N 2.78Å; S76-R79 PolarHBondContact O-NE 3.32Å
77G97.3Very high96Very high3 Ų345.9 Ų45.93%0.03125%0.253CS..Hα-helixtrans-64-25.2178.800000114.4Q12 L73 L74 E75Q12-G77 PolarHBondContact NE2-O 2.88Å; L73-G77 PolarHBondContact O-N 2.98Å; L74-G77 PolarHBondContact O-N 3.29Å; E75-G77 VanDerWaalsContact C-N 3.34Å; E75-G77 PolarHBondContact O-N 3.02Å
78E97.8Very high96.5Very high65 Ų6541.9 Ų41.930%0.30422%0.219SC..THydrogen-bonded Turntrans-96.83.6-179.7-67.7-71.7-172.500113.5Q12 L74 E75 S76 F80 G81 R82Q12-E78 WeakPolarHBondContact CG-OE1 3.31Å; Q12-E78 VanDerWaalsContact NE2-CD 3.34Å; Q12-E78 PolarHBondContact NE2-OE2 2.91Å; L74-E78 WeakPolarHBondContact O-CG 3.37Å; L74-E78 PolarHBondContact O-N 2.73Å; L74-E78 VanDerWaalsContact O-N 3.15Å; E75-E78 PolarHBondContact O-N 3.15Å; S76-E78 PolarHBondContact O-N 3.19Å; E78-F80 PolarHBondContact O-N 2.84Å; E78-G81 PolarHBondContact O-N 2.94Å; E78-R82 IonicContact OE1-CZ 3.46Å; E78-R82 IonicContact OE1-NE 3.05Å; E78-R82 PolarHBondContact OE1-NE 3.28Å; E78-R82 VanDerWaalsContact OE1-NE 3.15Å; E78-R82 IonicContact OE1-NH2 3.33Å; E78-R82 PolarHBondContact OE1-NH2 3.17Å; E78-R82 IonicContact OE2-NE 2.88Å
79R97.4Very high96.8Very high121 Ų12139 Ų3946%0.45720%0.196SC..THydrogen-bonded Turntrans-53.2-27.4-174.269.8173.5119.3-176.8-13.7115.2D20 E75 S76 W131D20-R79 IonicContact OD1-CZ 3.97Å; D20-R79 IonicContact OD1-NH2 2.81Å; D20-R79 PolarHBondContact OD1-NH2 3.39Å; E75-R79 PolarHBondContact O-N 2.92Å; S76-R79 WeakPolarHBondContact O-CB 3.46Å; S76-R79 VanDerWaalsContact O-CG 3.24Å; S76-R79 WeakPolarHBondContact O-CG 3.41Å; S76-R79 PolarHBondContact O-N 2.78Å; S76-R79 PolarHBondContact O-NE 3.32Å; R79-W131 HydrophobicContact CG-CE3 4.08Å; R79-W131 HydrophobicContact CG-CH2 3.93Å; R79-W131 HydrophobicContact CG-CZ3 3.66Å; R79-W131 VanDerWaalsContact NE-CD2 3.27Å
80F98.1Very high97.1Very high48 Ų4840.1 Ų40.121%0.21120%0.199CC..THydrogen-bonded Turntrans-108.63.5-179-78.4-5.4000113.3E78 V84 A86 W131 L132 P135E78-F80 PolarHBondContact O-N 2.84Å; F80-V84 HydrophobicContact CB-CG2 4.37Å; F80-A86 HydrophobicContact CD2-CB 4.07Å; F80-W131 HydrophobicContact CB-CZ3 4.33Å; F80-W131 AromaticContact CD2-CE3 3.61Å; F80-W131 HydrophobicContact CD2-CE3 3.61Å; F80-W131 AromaticContact CD2-CZ3 3.89Å; F80-W131 HydrophobicContact CD2-CZ3 3.89Å; F80-W131 AromaticContact CE2-CE3 3.79Å; F80-W131 HydrophobicContact CE2-CE3 3.79Å; F80-W131 HydrophobicContact CE2-CZ3 4.5Å; F80-W131 HydrophobicContact CG-CE3 4.33Å; F80-W131 HydrophobicContact CG-CZ3 4.25Å; F80-L132 VanDerWaalsContact CE2-O 3.27Å; F80-L132 WeakPolarHBondContact CE2-O 3.32Å; F80-L132 VanDerWaalsContact CZ-O 3.31Å; F80-L132 WeakPolarHBondContact CZ-O 3.39Å; F80-P135 HydrophobicContact CB-CB 4.01Å; F80-P135 HydrophobicContact CB-CG 4.39Å; F80-P135 HydrophobicContact CD1-CG 4.35Å; F80-P135 HydrophobicContact CD2-CB 4.24Å; F80-P135 HydrophobicContact CG-CB 4.07Å; F80-P135 HydrophobicContact CG-CG 4.24Å
81G97.5Very high97.4Very high28 Ų2839.7 Ų39.729%0.28920%0.196SC..  trans64-152.4-173.500000112.6I45 E78I45-G81 WeakPolarHBondContact CD1-O 3.45Å; E78-G81 PolarHBondContact O-N 2.94Å
82R98.1Very high97.7Very high57 Ų5736 Ų3622%0.21518%0.183CC..SBendtrans-124.9164-171.7-54.9-175.6-177.9-167.8-2.4112.1I45 W47 D49 E78I45-R82 HydrophobicContact CG2-CB 4.23Å; I45-R82 HydrophobicContact CG2-CG 3.97Å; W47-R82 HydrophobicContact CD2-CB 4.13Å; W47-R82 HydrophobicContact CE3-CB 3.84Å; W47-R82 HydrophobicContact CZ3-CB 4.14Å; W47-R82 WeakPolarHBondContact O-CD 3.44Å; W47-R82 PolarHBondContact O-NH1 3.21Å; D49-R82 IonicContact OD1-CZ 3.52Å; D49-R82 IonicContact OD1-NH1 3.58Å; D49-R82 PolarHBondContact OD1-NH1 2.85Å; D49-R82 IonicContact OD1-NH2 2.73Å; D49-R82 PolarHBondContact OD1-NH2 3.45Å; D49-R82 IonicContact OD2-CZ 2.78Å; D49-R82 IonicContact OD2-NH1 3.15Å; D49-R82 PolarHBondContact OD2-NH1 3.11Å; D49-R82 IonicContact OD2-NH2 3.36Å; E78-R82 IonicContact OE1-CZ 3.46Å; E78-R82 IonicContact OE1-NE 3.05Å; E78-R82 PolarHBondContact OE1-NE 3.28Å; E78-R82 VanDerWaalsContact OE1-NE 3.15Å; E78-R82 IonicContact OE1-NH2 3.33Å; E78-R82 PolarHBondContact OE1-NH2 3.17Å; E78-R82 IonicContact OE2-NE 2.88Å
83G97.9Very high97.8Very high10 Ų1037.4 Ų37.410%0.10318%0.183CC..SBendtrans72.332.3-176.300000112.8I45 A138I45-G83 WeakPolarHBondContact O-CA 3.26Å; I45-G83 PolarHBondContact O-N 3.47Å; G83-A138 CarbonylContact C-O 3.5Å; G83-A138 PolarHBondContact O-N 2.79Å
84V98.6Very high98Very high8 Ų836.6 Ų36.65%0.04818%0.179CC..EExtended strand (participates in β ladder)trans-136.4147.5-173.3-62.70000110.6H44 I45 F80 A86 P135 L136 K137H44-V84 CarbonylContact C-O 3.55Å; H44-V84 WeakPolarHBondContact CA-O 3.24Å; H44-V84 PolarHBondContact CD2-O 3.39Å; I45-V84 HydrophobicContact CB-CG2 4.46Å; I45-V84 HydrophobicContact CD1-CG2 4.42Å; I45-V84 PolarHBondContact N-O 3.12Å; F80-V84 HydrophobicContact CB-CG2 4.37Å; V84-A86 HydrophobicContact CG2-CB 4.26Å; V84-P135 HydrophobicContact CB-CB 3.92Å; V84-P135 HydrophobicContact CG1-CB 3.9Å; V84-P135 HydrophobicContact CG2-CB 4.12Å; V84-L136 CarbonylContact C-O 3.58Å; V84-L136 VanDerWaalsContact CA-O 3.26Å; V84-L136 WeakPolarHBondContact CA-O 3.28Å; V84-K137 HydrophobicContact CG1-CG 4.32Å
85V98.6Very high98.2Very high0 Ų037.5 Ų37.50%018%0.18CC..EExtended strand (participates in β ladder)trans-77.1118.2157.7-177.20000106.7A42 V43 H44 L132 L136 A138 V147 I149A42-V85 HydrophobicContact CB-CG1 3.9Å; V43-V85 WeakPolarHBondContact O-CA 3.32Å; H44-V85 HydrophobicContact CB-CG2 4.48Å; V85-L132 HydrophobicContact CG1-CD1 4.13Å; V85-L136 HydrophobicContact CB-CB 4.21Å; V85-L136 PolarHBondContact N-O 2.93Å; V85-L136 PolarHBondContact O-N 3.27Å; V85-A138 HydrophobicContact CG2-CB 4.11Å; V85-V147 HydrophobicContact CG2-CB 4.48Å; V85-V147 HydrophobicContact CG2-CG1 4.09Å; V85-V147 HydrophobicContact CG2-CG2 4.38Å; V85-I149 HydrophobicContact CG1-CD1 4Å
86A98.7Very high98.2Very high0 Ų037.4 Ų37.40%018%0.18CC..EExtended strand (participates in β ladder)trans-110.2-21-169.400000113.3L19 V43 I45 F80 V84 W131 L132L19-A86 HydrophobicContact CD1-CB 3.71Å; V43-A86 PolarHBondContact O-N 2.86Å; I45-A86 HydrophobicContact CD1-CB 3.45Å; I45-A86 VanDerWaalsContact CD1-CB 3.45Å; I45-A86 HydrophobicContact CG1-CB 3.73Å; F80-A86 HydrophobicContact CD2-CB 4.07Å; V84-A86 HydrophobicContact CG2-CB 4.26Å; A86-W131 HydrophobicContact CB-CE3 4.18Å; A86-W131 HydrophobicContact CB-CZ3 3.93Å; A86-L132 PolarHBondContact O-N 3.17Å
87G98.7Very high98.2Very high0 Ų035.6 Ų35.60%017%0.167CC..EExtended strand (participates in β ladder)trans-172.9-171.9-17600000113.7V43 R130V43-G87 PolarHBondContact N-O 3.5Å; G87-R130 CarbonylContact C-O 3.41Å; G87-R130 WeakPolarHBondContact CA-O 3.26Å
88L98.9Very high98Very high3 Ų338.4 Ų38.42%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-131.1150.2-175.5-55.5178.4000109.3L5 T40 L41 A42 P129 R130 L132 I149 M154 P155L5-L88 HydrophobicContact CD1-CD1 4.5Å; L5-L88 HydrophobicContact CD1-CD2 3.49Å; L5-L88 VanDerWaalsContact CD1-CD2 3.49Å; T40-L88 HydrophobicContact CG2-CB 3.91Å; T40-L88 HydrophobicContact CG2-CD1 4.35Å; T40-L88 HydrophobicContact CG2-CD2 4.35Å; T40-L88 HydrophobicContact CG2-CG 4.44Å; L41-L88 CarbonylContact O-C 3.57Å; L41-L88 WeakPolarHBondContact O-CA 3.44Å; A42-L88 HydrophobicContact CB-CD2 4.12Å; L88-P129 CarbonylContact O-C 3.56Å; L88-P129 WeakPolarHBondContact O-CA 3.34Å; L88-R130 PolarHBondContact N-O 3.1Å; L88-R130 PolarHBondContact O-N 3.16Å; L88-L132 HydrophobicContact CD1-CD2 4.29Å; L88-L132 HydrophobicContact CD2-CD2 4.33Å; L88-L132 HydrophobicContact CG-CD2 3.98Å; L88-I149 HydrophobicContact CD2-CD1 3.77Å; L88-M154 HydrophobicContact CD1-CE 3.63Å; L88-M154 HydrophobicContact CD1-SD 4.1Å; L88-P155 HydrophobicContact CD1-CG 4.26Å
89V98.8Very high97.7Very high1 Ų140.3 Ų40.31%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-144.9147.6172.569.80000109.4V18 T40 L41 V43 L126 S127V18-V89 HydrophobicContact CG1-CB 4.38Å; V18-V89 HydrophobicContact CG1-CG1 4.49Å; V18-V89 HydrophobicContact CG1-CG2 4.26Å; T40-V89 CarbonylContact C-O 3.54Å; T40-V89 WeakPolarHBondContact CA-O 3.45Å; L41-V89 HydrophobicContact CB-CG1 4.16Å; L41-V89 HydrophobicContact CD2-CG1 4.28Å; L41-V89 PolarHBondContact N-O 2.93Å; L41-V89 PolarHBondContact O-N 3.49Å; V43-V89 HydrophobicContact CG2-CB 4.32Å; V43-V89 HydrophobicContact CG2-CG1 3.88Å; V89-L126 HydrophobicContact CG1-CD2 4.07Å; V89-L126 HydrophobicContact CG2-CB 3.75Å; V89-L126 HydrophobicContact CG2-CD1 4.4Å; V89-L126 HydrophobicContact CG2-CD2 4.19Å; V89-L126 HydrophobicContact CG2-CG 4.33Å; V89-S127 VanDerWaalsContact CG2-O 3.23Å; V89-S127 WeakPolarHBondContact CG2-O 3.33Å
90D98.8Very high97.4Very high33 Ų3339.5 Ų39.518%0.17621%0.214CC..EExtended strand (participates in β ladder)trans-91.5128.9175.1-63.4-22.2000109.3T40 S127 N128 R130T40-D90 WeakPolarHBondContact CB-OD1 3.44Å; T40-D90 PolarHBondContact OG1-OD1 3.27Å; D90-S127 PolarHBondContact N-O 3.22Å; D90-S127 PolarHBondContact O-N 3.11Å; D90-N128 HydrophobicContact CB-CB 4.29Å; D90-N128 VanDerWaalsContact OD2-CB 3.25Å; D90-N128 WeakPolarHBondContact OD2-CB 3.4Å; D90-N128 PolarHBondContact OD2-ND2 3.1Å; D90-R130 IonicContact OD1-CZ 3.87Å; D90-R130 IonicContact OD1-NH1 3.51Å; D90-R130 IonicContact OD1-NH2 3.12Å; D90-R130 PolarHBondContact OD1-NH2 2.88Å; D90-R130 IonicContact OD2-CZ 3.57Å; D90-R130 IonicContact OD2-NH1 2.67Å; D90-R130 PolarHBondContact OD2-NH1 2.76Å; D90-R130 VanDerWaalsContact OD2-NH1 3.12Å; D90-R130 IonicContact OD2-NH2 2.9Å
91V98.8Very high97.1Very high2 Ų238.8 Ų38.81%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-92.7121.7-175.3178.80000109.4L33 L36 N38 R39 L41 T124 L126L33-V91 HydrophobicContact CB-CG1 4.18Å; L36-V91 HydrophobicContact CB-CB 4.32Å; L36-V91 HydrophobicContact CB-CG1 4.14Å; L36-V91 HydrophobicContact CB-CG2 4.41Å; L36-V91 WeakPolarHBondContact O-CB 3.39Å; N38-V91 WeakPolarHBondContact CA-O 3.41Å; N38-V91 PolarHBondContact N-O 3.29Å; R39-V91 PolarHBondContact O-N 3.17Å; L41-V91 HydrophobicContact CB-CG2 3.54Å; L41-V91 HydrophobicContact CD2-CG2 4.03Å; L41-V91 HydrophobicContact CG-CG2 4.39Å; V91-T124 HydrophobicContact CG1-CG2 3.7Å; V91-L126 HydrophobicContact CG2-CD2 4.33Å
92G98.6Very high96.9Very high14 Ų1441.5 Ų41.514%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-93.9-157.8173.800000112.6W125G92-W125 PolarHBondContact N-O 3.39Å
93R98.4Very high96.6Very high161 Ų16147.1 Ų47.161%0.60825%0.254SS*.EExtended strand (participates in β ladder)trans-59.8139.6178.7-177.8179.4177.7-170.70.4111.4W95 T124 W125R93-W95 VanDerWaalsContact O-CZ3 3.32Å; R93-W95 WeakPolarHBondContact O-CZ3 3.32Å; R93-T124 WeakPolarHBondContact O-CA 3.25Å; R93-W125 PolarHBondContact O-N 3.23Å
94T98.6Very high96.3Very high20 Ų2050.4 Ų50.412%0.12328%0.28CS..EExtended strand (participates in β ladder)trans-102.4136.5165-58.60000110.6P31 A34 H122 L123 T124P31-T94 HydrophobicContact CB-CG2 4.16Å; A34-T94 WeakPolarHBondContact CA-OG1 3.48Å; A34-T94 HydrophobicContact CB-CG2 4.21Å; A34-T94 PolarHBondContact N-OG1 3.46Å; T94-H122 HydrophobicContact CG2-CB 4.13Å; T94-L123 CarbonylContact C-O 3.53Å; T94-L123 WeakPolarHBondContact CA-O 3.38Å; T94-L123 WeakPolarHBondContact CG2-O 3.3Å; T94-T124 WeakPolarHBondContact CG2-OG1 3.49Å; T94-T124 WeakPolarHBondContact OG1-CG2 3.41Å; T94-T124 PolarHBondContact OG1-OG1 3.34Å
95W98.1Very high96Very high55 Ų5554.5 Ų54.521%0.20830%0.298CS..EExtended strand (participates in β ladder)trans-143.5159174.869.9102.3000110.6V25 R93 L109 H122 L123 W125V25-W95 HydrophobicContact CG1-CH2 4.47Å; R93-W95 VanDerWaalsContact O-CZ3 3.32Å; R93-W95 WeakPolarHBondContact O-CZ3 3.32Å; W95-L109 HydrophobicContact CZ2-CD2 4.18Å; W95-H122 CarbonylContact O-C 3.57Å; W95-H122 WeakPolarHBondContact O-CA 3.31Å; W95-L123 HydrophobicContact CD2-CB 4.11Å; W95-L123 HydrophobicContact CE3-CB 4.4Å; W95-L123 HydrophobicContact CH2-CB 3.94Å; W95-L123 HydrophobicContact CZ2-CB 3.64Å; W95-L123 HydrophobicContact CZ2-CD1 3.97Å; W95-L123 HydrophobicContact CZ2-CG 4.45Å; W95-L123 HydrophobicContact CZ3-CB 4.3Å; W95-L123 PolarHBondContact N-O 2.72Å; W95-L123 PolarHBondContact O-N 2.85Å; W95-W125 AromaticContact CH2-CD1 3.53Å; W95-W125 AromaticContact CH2-CD2 3.91Å; W95-W125 HydrophobicContact CH2-CD2 3.91Å; W95-W125 AromaticContact CH2-CE2 3.44Å; W95-W125 VanDerWaalsContact CH2-CE2 3.44Å; W95-W125 AromaticContact CH2-CG 3.94Å; W95-W125 HydrophobicContact CH2-CG 3.94Å; W95-W125 AromaticContact CH2-CZ2 3.98Å; W95-W125 HydrophobicContact CH2-CZ2 3.98Å; W95-W125 AromaticContact CH2-NE1 3.18Å; W95-W125 HydrophobicContact CZ2-CZ2 4.46Å; W95-W125 AromaticContact CZ3-CD1 3.2Å; W95-W125 HydrophobicContact CZ3-CD2 4.27Å; W95-W125 AromaticContact CZ3-CG 3.79Å; W95-W125 HydrophobicContact CZ3-CG 3.79Å; W95-W125 AromaticContact CZ3-NE1 3.33Å; W95-W125 VanDerWaalsContact CZ3-NE1 3.33Å
96Q97.7Very high95.7Very high116 Ų11656 Ų5654%0.54231%0.306SS..EExtended strand (participates in β ladder)trans-84.8131.2173.2-165.8174.915.600109.8P98 E120Q96-P98 WeakPolarHBondContact O-CD 3.44Å; Q96-E120 WeakPolarHBondContact CG-O 2.98Å; Q96-E120 PolarHBondContact NE2-O 3.41Å; Q96-E120 VanDerWaalsContact NE2-O 3.08Å
97C96.5Very high95.3Very high2 Ų257.9 Ų57.91%0.01432%0.321CS..PPolyproline II helixtrans-65.5126.9172.7-169.90000109.3L118 E120 K121 L123C97-L118 WeakPolarHBondContact CB-O 3.47Å; C97-E120 WeakPolarHBondContact O-CA 3.44Å; C97-E120 PolarHBondContact O-N 3.04Å; C97-E120 VanDerWaalsContact O-N 3.12Å; C97-K121 WeakPolarHBondContact CB-O 3.3Å; C97-K121 PolarHBondContact N-O 2.96Å; C97-L123 HydrophobicContact CB-CD1 3.84Å; C97-L123 HydrophobicContact CB-CG 4.01Å
98P93.7Very high94.9Very high63 Ų6363.5 Ų63.541%0.40935%0.348SS..PPolyproline II helixtrans-58.9154.3173.8-24.536000111.9Q96 S100 L101Q96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-S100 PolarHBondContact O-N 3.04Å; P98-L101 HydrophobicContact CB-CD2 4.15Å; P98-L101 HydrophobicContact CB-CG 4.31Å; P98-L101 HydrophobicContact CG-CD2 3.81Å; P98-L101 HydrophobicContact CG-CG 4.33Å
99T90.6Very high94.7Very high104 Ų10464.1 Ų64.164%0.63835%0.351SS*.SBendtrans-66.3-21.3175.2-43.50000112.5
100S90.8Very high94.4Very high104 Ų10465.9 Ų65.973%0.72736%0.359SS*.  trans-142129.9177.1-176.60000109.8P98P98-S100 PolarHBondContact O-N 3.04Å
101L92.1Very high94.1Very high33 Ų3369.1 Ų69.117%0.17337%0.369CS..  trans-131.9154173.3-72.5174.5000108.6P98 L106 L109P98-L101 HydrophobicContact CB-CD2 4.15Å; P98-L101 HydrophobicContact CB-CG 4.31Å; P98-L101 HydrophobicContact CG-CD2 3.81Å; P98-L101 HydrophobicContact CG-CG 4.33Å; L101-L106 HydrophobicContact CB-CB 4.28Å; L101-L109 HydrophobicContact CD1-CD1 3.57Å
102P94.7Very high93.9Very high86 Ų8669.9 Ų69.956%0.55837%0.374SS*.  trans-52.9140.5165.6-22.433.4000110.9A104 E105 L106P102-A104 VanDerWaalsContact C-N 3.26Å; P102-A104 PolarHBondContact O-N 3.26Å; P102-E105 HydrophobicContact CB-CB 4.43Å; P102-E105 WeakPolarHBondContact CD-OE2 3.1Å; P102-E105 PolarHBondContact O-N 2.85Å; P102-L106 PolarHBondContact O-N 2.67Å
103E90.8Very high93.8Very high175 Ų17569.2 Ų69.282%0.81837%0.367SS*.Hα-helixtrans-54.4-40.6-174.5-174.7178.4178.500113L106 A107E103-L106 PolarHBondContact O-N 2.9Å; E103-A107 WeakPolarHBondContact O-CB 3.25Å; E103-A107 PolarHBondContact O-N 2.96Å
104A91.8Very high93.6Very high79 Ų7961.6 Ų61.665%0.65334%0.339SS*.Hα-helixtrans-64.3-41.3178.300000112.9P102 A107 E108P102-A104 VanDerWaalsContact C-N 3.26Å; P102-A104 PolarHBondContact O-N 3.26Å; A104-A107 PolarHBondContact O-N 3.22Å; A104-E108 PolarHBondContact O-N 2.84Å; A104-E108 VanDerWaalsContact O-N 3.08Å
105E92.5Very high93.4Very high93 Ų9361.1 Ų61.144%0.43534%0.335SS..Hα-helixtrans-69.9-42178.6-174.6179.1-178.600110.8P102 A107 E108 L109P102-E105 HydrophobicContact CB-CB 4.43Å; P102-E105 WeakPolarHBondContact CD-OE2 3.1Å; P102-E105 PolarHBondContact O-N 2.85Å; E105-A107 VanDerWaalsContact C-N 3.35Å; E105-A107 PolarHBondContact O-N 3.13Å; E105-E108 PolarHBondContact O-N 2.79Å; E105-L109 HydrophobicContact CG-CD1 4.48Å; E105-L109 WeakPolarHBondContact O-CG 3.24Å; E105-L109 PolarHBondContact O-N 3.41Å
106L91.7Very high93Very high33 Ų3362.5 Ų62.517%0.17335%0.346CS..Hα-helixtrans-60.3-45.4174.4-178.760.6000111.1L101 P102 E103 E108 L109 Q110L101-L106 HydrophobicContact CB-CB 4.28Å; P102-L106 PolarHBondContact O-N 2.67Å; E103-L106 PolarHBondContact O-N 2.9Å; L106-E108 VanDerWaalsContact C-N 3.33Å; L106-E108 PolarHBondContact O-N 3.48Å; L106-L109 PolarHBondContact O-N 3.02Å; L106-Q110 HydrophobicContact CD1-CG 4.1Å; L106-Q110 HydrophobicContact CG-CG 4.29Å; L106-Q110 WeakPolarHBondContact O-CB 3.47Å; L106-Q110 WeakPolarHBondContact O-CG 3.3Å; L106-Q110 PolarHBondContact O-N 2.88Å
107A90.1Very high92.6Very high38 Ų3858.6 Ų58.631%0.31434%0.337SS..Hα-helixtrans-62.1-39178.700000112.3E103 A104 E105 R111E103-A107 WeakPolarHBondContact O-CB 3.25Å; E103-A107 PolarHBondContact O-N 2.96Å; A104-A107 PolarHBondContact O-N 3.22Å; E105-A107 VanDerWaalsContact C-N 3.35Å; E105-A107 PolarHBondContact O-N 3.13Å; A107-R111 VanDerWaalsContact O-CB 3.29Å; A107-R111 WeakPolarHBondContact O-CB 3.38Å; A107-R111 PolarHBondContact O-N 3.08Å
108E91.9Very high92.4Very high118 Ų11858.5 Ų58.555%0.55134%0.336SS*.Hα-helixtrans-67.5-41.1175.8-173.8173.3-176.500112.3A104 E105 L106 R111 S112A104-E108 PolarHBondContact O-N 2.84Å; A104-E108 VanDerWaalsContact O-N 3.08Å; E105-E108 PolarHBondContact O-N 2.79Å; L106-E108 VanDerWaalsContact C-N 3.33Å; L106-E108 PolarHBondContact O-N 3.48Å; E108-R111 WeakPolarHBondContact O-CB 3.5Å; E108-R111 PolarHBondContact O-N 2.97Å; E108-S112 WeakPolarHBondContact O-CB 3.42Å; E108-S112 PolarHBondContact O-N 3.31Å; E108-S112 PolarHBondContact O-OG 3.48Å
109L93.3Very high92.4Very high16 Ų1659.1 Ų59.18%0.08433%0.333CS..Hα-helixtrans-65.5-43.2174.3-74.6173.9000111.8W95 L101 E105 L106 R111 S112 A113 L118 L123W95-L109 HydrophobicContact CZ2-CD2 4.18Å; L101-L109 HydrophobicContact CD1-CD1 3.57Å; E105-L109 HydrophobicContact CG-CD1 4.48Å; E105-L109 WeakPolarHBondContact O-CG 3.24Å; E105-L109 PolarHBondContact O-N 3.41Å; L106-L109 PolarHBondContact O-N 3.02Å; L109-R111 VanDerWaalsContact C-N 3.31Å; L109-R111 PolarHBondContact O-N 2.89Å; L109-S112 PolarHBondContact O-N 3.12Å; L109-A113 VanDerWaalsContact O-CB 3.3Å; L109-A113 WeakPolarHBondContact O-CB 3.36Å; L109-A113 PolarHBondContact O-N 2.78Å; L109-L118 HydrophobicContact CB-CD1 3.86Å; L109-L123 HydrophobicContact CD1-CD1 4.28Å; L109-L123 HydrophobicContact CD2-CD1 4.37Å
110Q92.8Very high92.6Very high39 Ų3959.1 Ų59.118%0.18233%0.326CS..Hα-helixtrans-63.5-38.1176.3-72177.8-3500111.7L106 A113 V114 L115 L118L106-Q110 HydrophobicContact CD1-CG 4.1Å; L106-Q110 HydrophobicContact CG-CG 4.29Å; L106-Q110 WeakPolarHBondContact O-CB 3.47Å; L106-Q110 WeakPolarHBondContact O-CG 3.3Å; L106-Q110 PolarHBondContact O-N 2.88Å; Q110-A113 PolarHBondContact O-N 3.27Å; Q110-V114 WeakPolarHBondContact O-CA 3.17Å; Q110-V114 PolarHBondContact O-N 2.91Å; Q110-L115 WeakPolarHBondContact CA-O 3.46Å; Q110-L115 WeakPolarHBondContact CB-O 2.99Å; Q110-L115 WeakPolarHBondContact CG-O 3.5Å; Q110-L115 PolarHBondContact O-N 3.46Å; Q110-L115 VanDerWaalsContact O-N 3.13Å; Q110-L118 HydrophobicContact CB-CD1 4.47Å; Q110-L118 HydrophobicContact CG-CD1 3.86Å; Q110-L118 HydrophobicContact CG-CG 4.06Å
111R92.6Very high92.9Very high101 Ų10155.1 Ų55.138%0.38130%0.296SS..Hα-helixtrans-60.1-48.4171.7-177.2-172.3-69.3129.22111.1A62 W63 A107 E108 L109 A113 V114A62-R111 HydrophobicContact CB-CB 3.9Å; A62-R111 HydrophobicContact CB-CG 4.06Å; A62-R111 PolarHBondContact O-NE 3.41Å; A62-R111 PolarHBondContact O-NH2 3.29Å; W63-R111 VanDerWaalsContact CD1-CG 3.44Å; W63-R111 HydrophobicContact CD2-CG 4.46Å; W63-R111 HydrophobicContact CG-CG 4.19Å; W63-R111 PolarHBondContact NE1-O 2.78Å; A107-R111 VanDerWaalsContact O-CB 3.29Å; A107-R111 WeakPolarHBondContact O-CB 3.38Å; A107-R111 PolarHBondContact O-N 3.08Å; E108-R111 WeakPolarHBondContact O-CB 3.5Å; E108-R111 PolarHBondContact O-N 2.97Å; L109-R111 VanDerWaalsContact C-N 3.31Å; L109-R111 PolarHBondContact O-N 2.89Å; R111-A113 VanDerWaalsContact C-N 3.34Å; R111-A113 PolarHBondContact O-N 3.42Å; R111-V114 PolarHBondContact O-N 2.83Å
112S95.4Very high93.2Very high18 Ų1855.2 Ų55.213%0.12630%0.295CS..Hα-helixtrans-69.4-31.5-178.1-56.20000112.7K23 T24 V25 E108 L109K23-S112 WeakPolarHBondContact CA-O 3.37Å; T24-S112 PolarHBondContact N-O 3.17Å; V25-S112 PolarHBondContact N-O 2.85Å; V25-S112 VanDerWaalsContact N-O 3.11Å; E108-S112 WeakPolarHBondContact O-CB 3.42Å; E108-S112 PolarHBondContact O-N 3.31Å; E108-S112 PolarHBondContact O-OG 3.48Å; L109-S112 PolarHBondContact O-N 3.12Å
113A95.9Very high93.4Very high0 Ų051.1 Ų51.10%027%0.269CS..Hα-helixtrans-86.3-12.9175.900000113.5K23 V25 L109 Q110 R111 L115 L118K23-A113 WeakPolarHBondContact CD-O 3.45Å; K23-A113 PolarHBondContact NZ-O 2.89Å; V25-A113 HydrophobicContact CB-CB 4.16Å; V25-A113 HydrophobicContact CG1-CB 4.31Å; V25-A113 VanDerWaalsContact O-CA 3.31Å; V25-A113 WeakPolarHBondContact O-CA 3.06Å; L109-A113 VanDerWaalsContact O-CB 3.3Å; L109-A113 WeakPolarHBondContact O-CB 3.36Å; L109-A113 PolarHBondContact O-N 2.78Å; Q110-A113 PolarHBondContact O-N 3.27Å; R111-A113 VanDerWaalsContact C-N 3.34Å; R111-A113 PolarHBondContact O-N 3.42Å; A113-L115 HydrophobicContact CB-CB 4.32Å; A113-L115 PolarHBondContact O-N 2.8Å; A113-L118 HydrophobicContact CB-CD1 4.03Å; A113-L118 HydrophobicContact CB-CD2 4.01Å
114V95.2Very high93.8Very high0 Ų042.9 Ų42.90%023%0.231CC..THydrogen-bonded Turntrans50.436.4-169.9-163.10000111.2Y14 L17 V22 K23 W55 A58 L59 Q110 R111Y14-V114 HydrophobicContact CE1-CB 4.27Å; Y14-V114 WeakPolarHBondContact CE1-O 3.49Å; Y14-V114 PolarHBondContact OH-O 2.81Å; L17-V114 HydrophobicContact CD1-CB 4.34Å; L17-V114 HydrophobicContact CD1-CG1 3.98Å; V22-V114 HydrophobicContact CG1-CG2 4.1Å; K23-V114 HydrophobicContact CB-CG2 4.03Å; W55-V114 HydrophobicContact CB-CG1 4.35Å; A58-V114 HydrophobicContact CB-CG1 4.09Å; L59-V114 HydrophobicContact CD1-CG1 4.28Å; L59-V114 HydrophobicContact CD2-CG1 3.47Å; L59-V114 VanDerWaalsContact CD2-CG1 3.47Å; L59-V114 HydrophobicContact CD2-CG2 4.29Å; L59-V114 HydrophobicContact CG-CG1 3.53Å; Q110-V114 WeakPolarHBondContact O-CA 3.17Å; Q110-V114 PolarHBondContact O-N 2.91Å; R111-V114 PolarHBondContact O-N 2.83Å
115L92.9Very high94.1Very high10 Ų1044.6 Ų44.65%0.05222%0.22CC..  trans-153136.5-172.7179.265.2000110.2Y14 S27 Q110 A113 L118Y14-L115 VanDerWaalsContact OH-CD1 3.28Å; Y14-L115 WeakPolarHBondContact OH-CD1 3.33Å; S27-L115 VanDerWaalsContact OG-CD2 3.26Å; S27-L115 WeakPolarHBondContact OG-CD2 3.39Å; Q110-L115 WeakPolarHBondContact CA-O 3.46Å; Q110-L115 WeakPolarHBondContact CB-O 2.99Å; Q110-L115 WeakPolarHBondContact CG-O 3.5Å; Q110-L115 PolarHBondContact O-N 3.46Å; Q110-L115 VanDerWaalsContact O-N 3.13Å; A113-L115 HydrophobicContact CB-CB 4.32Å; A113-L115 PolarHBondContact O-N 2.8Å; L115-L118 HydrophobicContact CB-CD2 4.3Å; L115-L118 HydrophobicContact CD2-CD2 4.2Å; L115-L118 HydrophobicContact CG-CD2 4.25Å
116I89.7Confident94.4Very high85 Ų8540.6 Ų40.644%0.43620%0.202SC..SBendtrans-91.2166.3171.963.6171.8000111.4E54E54-I116 HydrophobicContact CB-CD1 4.21Å; E54-I116 HydrophobicContact CB-CG1 4.19Å; E54-I116 HydrophobicContact CG-CD1 4.33Å
117G89.6Confident94.8Very high34 Ų3442.1 Ų42.135%0.35122%0.215SC..  trans66.661.2179.600000112E119 K121G117-E119 WeakPolarHBondContact CA-OE2 3.19Å; G117-K121 PolarHBondContact O-NZ 3.22Å
118L93.6Very high95.2Very high0 Ų044.4 Ų44.40%022%0.222CC..  trans-92.5-11.5-176.9-65-175.3000113.1C97 L109 Q110 A113 L115 E120 K121 L123C97-L118 WeakPolarHBondContact CB-O 3.47Å; L109-L118 HydrophobicContact CB-CD1 3.86Å; Q110-L118 HydrophobicContact CB-CD1 4.47Å; Q110-L118 HydrophobicContact CG-CD1 3.86Å; Q110-L118 HydrophobicContact CG-CG 4.06Å; A113-L118 HydrophobicContact CB-CD1 4.03Å; A113-L118 HydrophobicContact CB-CD2 4.01Å; L115-L118 HydrophobicContact CB-CD2 4.3Å; L115-L118 HydrophobicContact CD2-CD2 4.2Å; L115-L118 HydrophobicContact CG-CD2 4.25Å; L118-E120 PolarHBondContact O-N 2.86Å; L118-K121 WeakPolarHBondContact O-CB 3.47Å; L118-K121 PolarHBondContact O-N 2.85Å; L118-K121 VanDerWaalsContact O-N 3.16Å; L118-L123 HydrophobicContact CB-CD2 4.44Å; L118-L123 HydrophobicContact CD1-CD1 4.48Å; L118-L123 HydrophobicContact CD1-CD2 4.49Å; L118-L123 HydrophobicContact CD2-CD2 4.18Å
119E93.4Very high95.5Very high75 Ų7541 Ų4135%0.3521%0.21SC..THydrogen-bonded Turntrans-52.1134.3-176.8-58.282.4177.200110.4G117 K121G117-E119 WeakPolarHBondContact CA-OE2 3.19Å; E119-K121 PolarHBondContact O-N 3.13Å
120E95.1Very high95.7Very high104 Ų10442.8 Ų42.849%0.48622%0.216SC..THydrogen-bonded Turntrans64.2-8178.7-49.4-172.7149.300116.4Q96 C97 L118Q96-E120 WeakPolarHBondContact CG-O 2.98Å; Q96-E120 PolarHBondContact NE2-O 3.41Å; Q96-E120 VanDerWaalsContact NE2-O 3.08Å; C97-E120 WeakPolarHBondContact O-CA 3.44Å; C97-E120 PolarHBondContact O-N 3.04Å; C97-E120 VanDerWaalsContact O-N 3.12Å; L118-E120 PolarHBondContact O-N 2.86Å
121K97.2Very high96Very high21 Ų2142.5 Ų42.59%0.09121%0.213CC..  trans-70.6154.2172-71.3175.2171.5156.80111.1W29 C97 G117 L118 E119 L123W29-K121 HydrophobicContact CD2-CG 4.23Å; W29-K121 HydrophobicContact CE3-CG 4.04Å; W29-K121 HydrophobicContact CH2-CG 4.27Å; W29-K121 HydrophobicContact CZ2-CG 4.45Å; W29-K121 HydrophobicContact CZ3-CG 4.06Å; C97-K121 WeakPolarHBondContact CB-O 3.3Å; C97-K121 PolarHBondContact N-O 2.96Å; G117-K121 PolarHBondContact O-NZ 3.22Å; L118-K121 WeakPolarHBondContact O-CB 3.47Å; L118-K121 PolarHBondContact O-N 2.85Å; L118-K121 VanDerWaalsContact O-N 3.16Å; E119-K121 PolarHBondContact O-N 3.13Å; K121-L123 HydrophobicContact CB-CD2 4.39Å
122H98.1Very high96.3Very high34 Ų3437.9 Ų37.916%0.15720%0.196CC..EExtended strand (participates in β ladder)trans-85.9114.6169.9-6182.7000109.2S27 R28 W29 P31 T94 W95S27-H122 CarbonylContact C-O 3.58Å; S27-H122 WeakPolarHBondContact CA-O 3.33Å; R28-H122 PolarHBondContact N-O 3.46Å; R28-H122 WeakPolarHBondContact O-CA 3.45Å; R28-H122 WeakPolarHBondContact O-CB 3.35Å; R28-H122 PolarHBondContact O-N 2.72Å; W29-H122 PolarHBondContact O-ND1 3.05Å; P31-H122 HydrophobicContact CB-CB 4.3Å; P31-H122 VanDerWaalsContact CB-CD2 3.48Å; P31-H122 WeakPolarHBondContact CB-CD2 3.29Å; T94-H122 HydrophobicContact CG2-CB 4.13Å; W95-H122 CarbonylContact O-C 3.57Å; W95-H122 WeakPolarHBondContact O-CA 3.31Å
123L98.5Very high96.4Very high0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-94.8142.7178.6-54.1-173.7000109.5V25 E26 T94 W95 C97 L109 L118 K121V25-L123 HydrophobicContact CG1-CB 3.84Å; V25-L123 HydrophobicContact CG1-CD1 4.44Å; V25-L123 HydrophobicContact CG1-CD2 4.26Å; V25-L123 HydrophobicContact CG1-CG 4.39Å; E26-L123 CarbonylContact O-C 3.49Å; E26-L123 VanDerWaalsContact O-CA 3.25Å; E26-L123 WeakPolarHBondContact O-CA 3.22Å; T94-L123 CarbonylContact C-O 3.53Å; T94-L123 WeakPolarHBondContact CA-O 3.38Å; T94-L123 WeakPolarHBondContact CG2-O 3.3Å; W95-L123 HydrophobicContact CD2-CB 4.11Å; W95-L123 HydrophobicContact CE3-CB 4.4Å; W95-L123 HydrophobicContact CH2-CB 3.94Å; W95-L123 HydrophobicContact CZ2-CB 3.64Å; W95-L123 HydrophobicContact CZ2-CD1 3.97Å; W95-L123 HydrophobicContact CZ2-CG 4.45Å; W95-L123 HydrophobicContact CZ3-CB 4.3Å; W95-L123 PolarHBondContact N-O 2.72Å; W95-L123 PolarHBondContact O-N 2.85Å; C97-L123 HydrophobicContact CB-CD1 3.84Å; C97-L123 HydrophobicContact CB-CG 4.01Å; L109-L123 HydrophobicContact CD1-CD1 4.28Å; L109-L123 HydrophobicContact CD2-CD1 4.37Å; L118-L123 HydrophobicContact CB-CD2 4.44Å; L118-L123 HydrophobicContact CD1-CD1 4.48Å; L118-L123 HydrophobicContact CD1-CD2 4.49Å; L118-L123 HydrophobicContact CD2-CD2 4.18Å; K121-L123 HydrophobicContact CB-CD2 4.39Å
124T98.8Very high96.6Very high3 Ų344.1 Ų44.12%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-136.9128.1179-550000110.2V25 E26 L33 V91 R93 T94 L126V25-T124 CarbonylContact C-O 3.59Å; V25-T124 WeakPolarHBondContact CA-O 3.36Å; E26-T124 PolarHBondContact N-O 3.24Å; E26-T124 PolarHBondContact O-N 2.85Å; L33-T124 HydrophobicContact CB-CG2 3.87Å; L33-T124 HydrophobicContact CD1-CG2 3.92Å; V91-T124 HydrophobicContact CG1-CG2 3.7Å; R93-T124 WeakPolarHBondContact O-CA 3.25Å; T94-T124 WeakPolarHBondContact CG2-OG1 3.49Å; T94-T124 WeakPolarHBondContact OG1-CG2 3.41Å; T94-T124 PolarHBondContact OG1-OG1 3.34Å; T124-L126 PolarHBondContact O-N 3.28Å
125W98.6Very high96.7Very high114 Ų11447 Ų4743%0.43224%0.243SC..EExtended strand (participates in β ladder)trans-67133.5173.1-75.7116.5000110.5V25 G92 R93 W95V25-W125 HydrophobicContact CG2-CD2 4.15Å; V25-W125 HydrophobicContact CG2-CE3 3.47Å; V25-W125 VanDerWaalsContact CG2-CE3 3.47Å; V25-W125 HydrophobicContact CG2-CH2 3.66Å; V25-W125 HydrophobicContact CG2-CZ2 4.32Å; V25-W125 HydrophobicContact CG2-CZ3 3.2Å; G92-W125 PolarHBondContact N-O 3.39Å; R93-W125 PolarHBondContact O-N 3.23Å; W95-W125 AromaticContact CH2-CD1 3.53Å; W95-W125 AromaticContact CH2-CD2 3.91Å; W95-W125 HydrophobicContact CH2-CD2 3.91Å; W95-W125 AromaticContact CH2-CE2 3.44Å; W95-W125 VanDerWaalsContact CH2-CE2 3.44Å; W95-W125 AromaticContact CH2-CG 3.94Å; W95-W125 HydrophobicContact CH2-CG 3.94Å; W95-W125 AromaticContact CH2-CZ2 3.98Å; W95-W125 HydrophobicContact CH2-CZ2 3.98Å; W95-W125 AromaticContact CH2-NE1 3.18Å; W95-W125 HydrophobicContact CZ2-CZ2 4.46Å; W95-W125 AromaticContact CZ3-CD1 3.2Å; W95-W125 HydrophobicContact CZ3-CD2 4.27Å; W95-W125 AromaticContact CZ3-CG 3.79Å; W95-W125 HydrophobicContact CZ3-CG 3.79Å; W95-W125 AromaticContact CZ3-NE1 3.33Å; W95-W125 VanDerWaalsContact CZ3-NE1 3.33Å
126L98.8Very high96.9Very high10 Ų1048.3 Ų48.35%0.05225%0.25CC..EExtended strand (participates in β ladder)trans-118.7136.3173.6-66.2-171.8000108.8V18 T24 E26 V89 V91 T124V18-L126 HydrophobicContact CB-CD1 4.49Å; V18-L126 HydrophobicContact CG1-CD1 3.8Å; V18-L126 HydrophobicContact CG2-CD1 3.8Å; T24-L126 PolarHBondContact O-N 2.82Å; E26-L126 HydrophobicContact CB-CD1 3.73Å; E26-L126 HydrophobicContact CB-CG 4.05Å; V89-L126 HydrophobicContact CG1-CD2 4.07Å; V89-L126 HydrophobicContact CG2-CB 3.75Å; V89-L126 HydrophobicContact CG2-CD1 4.4Å; V89-L126 HydrophobicContact CG2-CD2 4.19Å; V89-L126 HydrophobicContact CG2-CG 4.33Å; V91-L126 HydrophobicContact CG2-CD2 4.33Å; T124-L126 PolarHBondContact O-N 3.28Å
127S98.7Very high97.3Very high64 Ų6453.2 Ų53.245%0.44827%0.268SS..EExtended strand (participates in β ladder)trans-144.1166.5-178.464.50000111.5V89 D90V89-S127 VanDerWaalsContact CG2-O 3.23Å; V89-S127 WeakPolarHBondContact CG2-O 3.33Å; D90-S127 PolarHBondContact N-O 3.22Å; D90-S127 PolarHBondContact O-N 3.11Å
128N98.6Very high97.5Very high86 Ų8652.6 Ų52.646%0.4626%0.26SS..EExtended strand (participates in β ladder)trans5150.9175.6-158.92.5000113.9D90 R130D90-N128 HydrophobicContact CB-CB 4.29Å; D90-N128 VanDerWaalsContact OD2-CB 3.25Å; D90-N128 WeakPolarHBondContact OD2-CB 3.4Å; D90-N128 PolarHBondContact OD2-ND2 3.1Å; N128-R130 PolarHBondContact ND2-NH1 2.92Å; N128-R130 VanDerWaalsContact O-CZ 3.24Å; N128-R130 PolarHBondContact O-N 3.3Å; N128-R130 PolarHBondContact O-NE 3.4Å; N128-R130 PolarHBondContact OD1-NH1 3.46Å
129P98.6Very high97.3Very high46 Ų4658 Ų5830%0.29930%0.295SS..EExtended strand (participates in β ladder)trans-67134.7177.831.8-35.7000109.8V18 L88V18-P129 WeakPolarHBondContact O-CB 3.38Å; L88-P129 CarbonylContact O-C 3.56Å; L88-P129 WeakPolarHBondContact O-CA 3.34Å
130R98.6Very high97.1Very high55 Ų5556.7 Ų56.721%0.20830%0.301CS..EExtended strand (participates in β ladder)trans-139.6124.2-178.8-61.1156.4-62-126.8-5.4109G87 L88 D90 N128 P155G87-R130 CarbonylContact C-O 3.41Å; G87-R130 WeakPolarHBondContact CA-O 3.26Å; L88-R130 PolarHBondContact N-O 3.1Å; L88-R130 PolarHBondContact O-N 3.16Å; D90-R130 IonicContact OD1-CZ 3.87Å; D90-R130 IonicContact OD1-NH1 3.51Å; D90-R130 IonicContact OD1-NH2 3.12Å; D90-R130 PolarHBondContact OD1-NH2 2.88Å; D90-R130 IonicContact OD2-CZ 3.57Å; D90-R130 IonicContact OD2-NH1 2.67Å; D90-R130 PolarHBondContact OD2-NH1 2.76Å; D90-R130 VanDerWaalsContact OD2-NH1 3.12Å; D90-R130 IonicContact OD2-NH2 2.9Å; N128-R130 PolarHBondContact ND2-NH1 2.92Å; N128-R130 VanDerWaalsContact O-CZ 3.24Å; N128-R130 PolarHBondContact O-N 3.3Å; N128-R130 PolarHBondContact O-NE 3.4Å; N128-R130 PolarHBondContact OD1-NH1 3.46Å; R130-P155 HydrophobicContact CB-CB 4.08Å; R130-P155 HydrophobicContact CB-CG 3.81Å; R130-P155 HydrophobicContact CG-CG 4.32Å
131W98.7Very high96.9Very high32 Ų3253.1 Ų53.112%0.12129%0.292CS..EExtended strand (participates in β ladder)trans-70.7143.4167.8-69.780.9000109.9L19 D20 I45 R79 F80 A86L19-W131 HydrophobicContact CB-CD2 3.96Å; L19-W131 HydrophobicContact CB-CG 4.45Å; L19-W131 HydrophobicContact CB-CH2 4.21Å; L19-W131 HydrophobicContact CB-CZ2 3.48Å; L19-W131 VanDerWaalsContact CB-CZ2 3.48Å; L19-W131 HydrophobicContact CD1-CD2 4.11Å; L19-W131 HydrophobicContact CD1-CE3 3.97Å; L19-W131 HydrophobicContact CD1-CH2 3.98Å; L19-W131 HydrophobicContact CD1-CZ2 4.1Å; L19-W131 HydrophobicContact CD1-CZ3 3.91Å; L19-W131 HydrophobicContact CG-CZ2 4.44Å; L19-W131 PolarHBondContact O-NE1 2.69Å; D20-W131 WeakPolarHBondContact OD1-CZ2 3.23Å; D20-W131 PolarHBondContact OD1-NE1 2.88Å; I45-W131 HydrophobicContact CD1-CZ3 4.47Å; R79-W131 HydrophobicContact CG-CE3 4.08Å; R79-W131 HydrophobicContact CG-CH2 3.93Å; R79-W131 HydrophobicContact CG-CZ3 3.66Å; R79-W131 VanDerWaalsContact NE-CD2 3.27Å; F80-W131 HydrophobicContact CB-CZ3 4.33Å; F80-W131 AromaticContact CD2-CE3 3.61Å; F80-W131 HydrophobicContact CD2-CE3 3.61Å; F80-W131 AromaticContact CD2-CZ3 3.89Å; F80-W131 HydrophobicContact CD2-CZ3 3.89Å; F80-W131 AromaticContact CE2-CE3 3.79Å; F80-W131 HydrophobicContact CE2-CE3 3.79Å; F80-W131 HydrophobicContact CE2-CZ3 4.5Å; F80-W131 HydrophobicContact CG-CE3 4.33Å; F80-W131 HydrophobicContact CG-CZ3 4.25Å; A86-W131 HydrophobicContact CB-CE3 4.18Å; A86-W131 HydrophobicContact CB-CZ3 3.93Å
132L98.6Very high96.6Very high5 Ų562.2 Ų62.23%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-65.6159.5167.5-63.3-174.8000109.7F80 V85 A86 L88 G134 I149 L153F80-L132 VanDerWaalsContact CE2-O 3.27Å; F80-L132 WeakPolarHBondContact CE2-O 3.32Å; F80-L132 VanDerWaalsContact CZ-O 3.31Å; F80-L132 WeakPolarHBondContact CZ-O 3.39Å; V85-L132 HydrophobicContact CG1-CD1 4.13Å; A86-L132 PolarHBondContact O-N 3.17Å; L88-L132 HydrophobicContact CD1-CD2 4.29Å; L88-L132 HydrophobicContact CD2-CD2 4.33Å; L88-L132 HydrophobicContact CG-CD2 3.98Å; L132-G134 VanDerWaalsContact CB-O 3.27Å; L132-G134 WeakPolarHBondContact CB-O 3.28Å; L132-G134 PolarHBondContact O-N 2.97Å; L132-I149 HydrophobicContact CD1-CD1 4.34Å; L132-I149 HydrophobicContact CD1-CG2 4.1Å; L132-I149 HydrophobicContact CD2-CD1 4.42Å; L132-I149 HydrophobicContact CD2-CG2 4.2Å; L132-L153 CarbonylContact C-O 3.59Å; L132-L153 WeakPolarHBondContact CA-O 3.5Å; L132-L153 WeakPolarHBondContact CB-O 3.23Å; L132-L153 WeakPolarHBondContact CD2-O 3.39Å
133K98.4Very high96.3Very high135 Ų13563 Ų6359%0.58733%0.332SS*.EExtended strand (participates in β ladder)trans-62.9-23173.9-70.9176.7173.71280112.8E152 L153 M154 P155K133-E152 WeakPolarHBondContact CD-O 3.45Å; K133-L153 PolarHBondContact N-O 3.31Å; K133-M154 VanDerWaalsContact CD-O 3.25Å; K133-M154 WeakPolarHBondContact CD-O 3.45Å; K133-M154 VanDerWaalsContact CE-O 3.24Å; K133-M154 WeakPolarHBondContact CE-O 3.49Å; K133-M154 PolarHBondContact NZ-O 3.08Å; K133-P155 WeakPolarHBondContact CE-OXT 3.15Å; K133-P155 PolarHBondContact NZ-OXT 2.9Å
134G98.2Very high96.2Very high13 Ų1364.9 Ų64.913%0.13434%0.341CS..EExtended strand (participates in β ladder)trans-161.5163.417100000111.1L132L132-G134 VanDerWaalsContact CB-O 3.27Å; L132-G134 WeakPolarHBondContact CB-O 3.28Å; L132-G134 PolarHBondContact O-N 2.97Å
135P97.9Very high96.2Very high61 Ų6166.5 Ų66.540%0.39635%0.347SS..EExtended strand (participates in β ladder)trans-70.7137.2-178.826.3-31.9000111.9F80 V84F80-P135 HydrophobicContact CB-CB 4.01Å; F80-P135 HydrophobicContact CB-CG 4.39Å; F80-P135 HydrophobicContact CD1-CG 4.35Å; F80-P135 HydrophobicContact CD2-CB 4.24Å; F80-P135 HydrophobicContact CG-CB 4.07Å; F80-P135 HydrophobicContact CG-CG 4.24Å; V84-P135 HydrophobicContact CB-CB 3.92Å; V84-P135 HydrophobicContact CG1-CB 3.9Å; V84-P135 HydrophobicContact CG2-CB 4.12Å
136L98.1Very high96.1Very high37 Ų3764.3 Ų64.319%0.19435%0.346CS..EExtended strand (participates in β ladder)trans-98.6112.2168175.266.3000109.3V84 V85 A138 E148 I149 L153V84-L136 CarbonylContact C-O 3.58Å; V84-L136 VanDerWaalsContact CA-O 3.26Å; V84-L136 WeakPolarHBondContact CA-O 3.28Å; V85-L136 HydrophobicContact CB-CB 4.21Å; V85-L136 PolarHBondContact N-O 2.93Å; V85-L136 PolarHBondContact O-N 3.27Å; L136-A138 PolarHBondContact O-N 3.46Å; L136-E148 WeakPolarHBondContact CD2-O 3.06Å; L136-I149 HydrophobicContact CD2-CG1 4.19Å; L136-L153 HydrophobicContact CB-CD1 3.97Å; L136-L153 HydrophobicContact CD1-CD1 4.32Å
137K97.1Very high96Very high188 Ų18864.4 Ų64.482%0.81735%0.347SS*.EExtended strand (participates in β ladder)trans-62.8122.7174.9-69.8-175.5178.9-179.70110.1V84V84-K137 HydrophobicContact CG1-CG 4.32Å
138A93.5Very high96Very high21 Ų2167.6 Ų67.617%0.17436%0.355CS..  trans-151.9137.9178.500000110.7H44 G83 V85 L136H44-A138 PolarHBondContact NE2-O 2.79Å; G83-A138 CarbonylContact C-O 3.5Å; G83-A138 PolarHBondContact O-N 2.79Å; V85-A138 HydrophobicContact CG2-CB 4.11Å; L136-A138 PolarHBondContact O-N 3.46Å
139P90.7Very high96Very high115 Ų11563.5 Ų63.575%0.74733%0.333SS*.PPolyproline II helixtrans-62.2144.7168.729-33.3000109.6
140G88.4Confident96Very high47 Ų4762.9 Ų62.949%0.48533%0.329SS..PPolyproline II helixtrans-66.6136.6172.200000110.4
141G91.1Very high95.9Very high28 Ų2862.3 Ų62.329%0.28934%0.336SS..PPolyproline II helixtrans-95.3168.9172.300000112.5W145G141-W145 VanDerWaalsContact C-CE3 3.49Å; G141-W145 VanDerWaalsContact CA-CD2 3.42Å; G141-W145 VanDerWaalsContact CA-CE3 3.44Å; G141-W145 WeakPolarHBondContact O-CZ3 3.5Å
142R90.4Very high95.8Very high213 Ų21367 Ų6780%0.80436%0.36SS*.SBendtrans-80.6134.8172.4179.1178.2175.2169.61.7109.7L144R142-L144 PolarHBondContact O-N 3.43Å
143D93.1Very high95.8Very high51 Ų5168.5 Ų68.527%0.27337%0.367SS..SBendtrans50.3-120.6178.4-65.1-30.8000111.4L8 R30 L32 W145L8-D143 WeakPolarHBondContact CD1-O 3.41Å; R30-D143 IonicContact CZ-OD1 3.91Å; R30-D143 IonicContact CZ-OD2 3.88Å; R30-D143 IonicContact NH1-OD2 3.62Å; R30-D143 VanDerWaalsContact NH2-CG 3.3Å; R30-D143 IonicContact NH2-OD1 2.74Å; R30-D143 PolarHBondContact NH2-OD1 2.76Å; R30-D143 IonicContact NH2-OD2 3.2Å; R30-D143 PolarHBondContact NH2-OD2 3.16Å; L32-D143 HydrophobicContact CD2-CB 4.49Å; D143-W145 VanDerWaalsContact O-CE3 3.26Å; D143-W145 VanDerWaalsContact O-CZ3 3.32Å; D143-W145 WeakPolarHBondContact O-CZ3 3.27Å
144L96.3Very high95.7Very high38 Ų3864.3 Ų64.320%0.19935%0.35CS..EExtended strand (participates in β ladder)trans-96.7130.7171.9-70.8172.1000109.8W6 C7 L8 L32 L33 L36 L41 R142W6-L144 HydrophobicContact CE3-CB 3.93Å; W6-L144 HydrophobicContact CZ3-CB 4.2Å; C7-L144 WeakPolarHBondContact O-CA 3.28Å; L8-L144 HydrophobicContact CB-CD2 3.97Å; L8-L144 HydrophobicContact CD1-CD2 4.15Å; L8-L144 HydrophobicContact CD2-CD2 4.45Å; L8-L144 HydrophobicContact CG-CD2 4.43Å; L32-L144 WeakPolarHBondContact O-CD1 3.31Å; L33-L144 HydrophobicContact CD2-CD2 4.42Å; L36-L144 HydrophobicContact CD1-CD1 3.79Å; L36-L144 HydrophobicContact CD1-CD2 3.79Å; L36-L144 HydrophobicContact CD1-CG 4.46Å; L36-L144 HydrophobicContact CG-CD1 4.22Å; L41-L144 HydrophobicContact CD1-CD2 3.91Å; R142-L144 PolarHBondContact O-N 3.43Å
145W97.3Very high95.6Very high37 Ų3767.9 Ų67.914%0.1437%0.371CS..EExtended strand (participates in β ladder)trans-134.9168.5172.571100.3000110.2W6 C7 L8 S9 H44 G141 D143W6-W145 CarbonylContact C-O 3.5Å; C7-W145 HydrophobicContact CB-CD2 4.15Å; C7-W145 HydrophobicContact CB-CZ2 3.99Å; C7-W145 WeakPolarHBondContact CB-O 3.24Å; C7-W145 PolarHBondContact N-O 2.74Å; C7-W145 PolarHBondContact O-N 3.29Å; C7-W145 VanDerWaalsContact O-N 3.17Å; C7-W145 WeakPolarHBondContact SG-CZ2 3.25Å; L8-W145 VanDerWaalsContact C-CH2 3.44Å; S9-W145 VanDerWaalsContact N-CZ3 3.27Å; S9-W145 WeakPolarHBondContact OG-CH2 3.4Å; H44-W145 HydrophobicContact CB-CH2 3.79Å; H44-W145 HydrophobicContact CB-CZ2 3.7Å; H44-W145 AromaticContact CG-CZ2 3.86Å; G141-W145 VanDerWaalsContact C-CE3 3.49Å; G141-W145 VanDerWaalsContact CA-CD2 3.42Å; G141-W145 VanDerWaalsContact CA-CE3 3.44Å; G141-W145 WeakPolarHBondContact O-CZ3 3.5Å; D143-W145 VanDerWaalsContact O-CE3 3.26Å; D143-W145 VanDerWaalsContact O-CZ3 3.32Å; D143-W145 WeakPolarHBondContact O-CZ3 3.27Å
146T97.2Very high95.5Very high68 Ų6868.2 Ų68.242%0.41737%0.37SS..EExtended strand (participates in β ladder)trans-96.7145.8178.252.50000111.6Q4 L5 W6Q4-T146 HydrophobicContact CG-CG2 4.48Å; L5-T146 CarbonylContact O-C 3.45Å; L5-T146 VanDerWaalsContact O-CA 3.31Å; L5-T146 WeakPolarHBondContact O-CA 3.48Å; W6-T146 HydrophobicContact CD2-CG2 4.19Å; W6-T146 HydrophobicContact CE3-CG2 3.95Å; W6-T146 HydrophobicContact CH2-CG2 4.29Å; W6-T146 HydrophobicContact CZ3-CG2 4.01Å
147V97.6Very high95.3Very high13 Ų1369.8 Ų69.88%0.07938%0.379CS..EExtended strand (participates in β ladder)trans-130.9148.7172.7-63.40000109.5Q4 L5 C7 A42 V85 I149Q4-V147 WeakPolarHBondContact CA-O 3.12Å; L5-V147 PolarHBondContact N-O 2.93Å; L5-V147 PolarHBondContact O-N 3.21Å; C7-V147 HydrophobicContact CB-CB 4.37Å; C7-V147 HydrophobicContact CB-CG1 3.68Å; C7-V147 HydrophobicContact CB-CG2 3.82Å; A42-V147 HydrophobicContact CB-CG2 3.81Å; V85-V147 HydrophobicContact CG2-CB 4.48Å; V85-V147 HydrophobicContact CG2-CG1 4.09Å; V85-V147 HydrophobicContact CG2-CG2 4.38Å; V147-I149 HydrophobicContact CG2-CD1 4.31Å; V147-I149 HydrophobicContact CG2-CG1 4.06Å
148E97.8Very high95.2Very high131 Ų13163.3 Ų63.361%0.61236%0.355SS*.EExtended strand (participates in β ladder)trans-103.5115.3172.2-65.6-173.8163.300108.9A2 L136A2-E148 HydrophobicContact CB-CB 4.38Å; L136-E148 WeakPolarHBondContact CD2-O 3.06Å
149I98.1Very high95.3Very high0 Ų065.8 Ų65.80%037%0.365CS..EExtended strand (participates in β ladder)trans-101.5119.4-180-54.2-175.8000108.6A2 V3 L5 A42 V85 L88 L132 L136 V147 L153 M154A2-I149 CarbonylContact C-O 3.54Å; A2-I149 VanDerWaalsContact CA-O 3.31Å; A2-I149 WeakPolarHBondContact CA-O 3.48Å; V3-I149 PolarHBondContact N-O 3.37Å; V3-I149 PolarHBondContact O-N 2.74Å; L5-I149 HydrophobicContact CD1-CD1 4Å; A42-I149 HydrophobicContact CB-CD1 4.1Å; V85-I149 HydrophobicContact CG1-CD1 4Å; L88-I149 HydrophobicContact CD2-CD1 3.77Å; L132-I149 HydrophobicContact CD1-CD1 4.34Å; L132-I149 HydrophobicContact CD1-CG2 4.1Å; L132-I149 HydrophobicContact CD2-CD1 4.42Å; L132-I149 HydrophobicContact CD2-CG2 4.2Å; L136-I149 HydrophobicContact CD2-CG1 4.19Å; V147-I149 HydrophobicContact CG2-CD1 4.31Å; V147-I149 HydrophobicContact CG2-CG1 4.06Å; I149-L153 HydrophobicContact CG2-CB 4.13Å; I149-M154 HydrophobicContact CB-SD 4.24Å; I149-M154 HydrophobicContact CG2-CG 4.5Å; I149-M154 HydrophobicContact CG2-SD 3.85Å
150P98.1Very high95.6Very high32 Ų3262.7 Ų62.721%0.20834%0.342CS..EExtended strand (participates in β ladder)trans-58.5138.9173.6-21.832000111.7E152 L153P150-E152 HydrophobicContact CB-CG 4Å; P150-E152 VanDerWaalsContact CB-OE1 3.25Å; P150-E152 WeakPolarHBondContact CB-OE1 3.38Å; P150-E152 WeakPolarHBondContact CB-OE2 3.43Å; P150-E152 PolarHBondContact O-N 2.8Å; P150-E152 VanDerWaalsContact O-N 3.13Å; P150-L153 HydrophobicContact CG-CD1 4.39Å; P150-L153 PolarHBondContact O-N 2.91Å
151A96.8Very high96.1Very high44 Ų4463.7 Ų63.736%0.36433%0.332SS..G310 helixtrans-58.7-28.4-176.500000113.1M1 L153 M154M1-A151 VanDerWaalsContact O-CB 3.25Å; M1-A151 WeakPolarHBondContact O-CB 3.34Å; M1-A151 PolarHBondContact O-N 3.2Å; A151-L153 VanDerWaalsContact C-N 3.26Å; A151-L153 PolarHBondContact O-N 2.74Å; A151-M154 WeakPolarHBondContact O-CB 3.38Å; A151-M154 PolarHBondContact O-N 3.12Å
152E97.4Very high96.5Very high131 Ų13166.3 Ų66.361%0.61234%0.335SS*.G310 helixtrans-66.8-22.2175.162-91-148.500114K133 P150K133-E152 WeakPolarHBondContact CD-O 3.45Å; P150-E152 HydrophobicContact CB-CG 4Å; P150-E152 VanDerWaalsContact CB-OE1 3.25Å; P150-E152 WeakPolarHBondContact CB-OE1 3.38Å; P150-E152 WeakPolarHBondContact CB-OE2 3.43Å; P150-E152 PolarHBondContact O-N 2.8Å; P150-E152 VanDerWaalsContact O-N 3.13Å
153L97.9Very high96.9Very high35 Ų3555 Ų5518%0.18330%0.299CS..G310 helixtrans-91.5-14.9175.9-63.8-173.9000112.9L132 K133 L136 I149 P150 A151L132-L153 CarbonylContact C-O 3.59Å; L132-L153 WeakPolarHBondContact CA-O 3.5Å; L132-L153 WeakPolarHBondContact CB-O 3.23Å; L132-L153 WeakPolarHBondContact CD2-O 3.39Å; K133-L153 PolarHBondContact N-O 3.31Å; L136-L153 HydrophobicContact CB-CD1 3.97Å; L136-L153 HydrophobicContact CD1-CD1 4.32Å; I149-L153 HydrophobicContact CG2-CB 4.13Å; P150-L153 HydrophobicContact CG-CD1 4.39Å; P150-L153 PolarHBondContact O-N 2.91Å; A151-L153 VanDerWaalsContact C-N 3.26Å; A151-L153 PolarHBondContact O-N 2.74Å
154M97.4Very high97.2Very high47 Ų4755.3 Ų55.323%0.23230%0.301CS..  trans-61.7141.4177.2-64.4-66.1-69.400110.2L88 K133 I149 A151L88-M154 HydrophobicContact CD1-CE 3.63Å; L88-M154 HydrophobicContact CD1-SD 4.1Å; K133-M154 VanDerWaalsContact CD-O 3.25Å; K133-M154 WeakPolarHBondContact CD-O 3.45Å; K133-M154 VanDerWaalsContact CE-O 3.24Å; K133-M154 WeakPolarHBondContact CE-O 3.49Å; K133-M154 PolarHBondContact NZ-O 3.08Å; I149-M154 HydrophobicContact CB-SD 4.24Å; I149-M154 HydrophobicContact CG2-CG 4.5Å; I149-M154 HydrophobicContact CG2-SD 3.85Å; A151-M154 WeakPolarHBondContact O-CB 3.38Å; A151-M154 PolarHBondContact O-N 3.12Å
155P95Very high97.3Very high88 Ų8856.9 Ų56.957%0.57131%0.311SS*.  trans-56.30179.124.2-33.8000112.1L88 R130 K133L88-P155 HydrophobicContact CD1-CG 4.26Å; R130-P155 HydrophobicContact CB-CB 4.08Å; R130-P155 HydrophobicContact CB-CG 3.81Å; R130-P155 HydrophobicContact CG-CG 4.32Å; K133-P155 WeakPolarHBondContact CE-OXT 3.15Å; K133-P155 PolarHBondContact NZ-OXT 2.9Å

Retrieved 155 of 155 residues in 197.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).